SCHEMBL6959797

SCHEMBL6959797

CC(=O)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
F13A1 P00488 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GLA P06280 1/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
MAPT P10636 5/20 0.60
LMNA P02545 2/20 0.60
USP2 O75604 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
CNR1 P21554 1/20 0.58
TSHR P16473 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
NQO2 P16083 1/20 0.54
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16602099 0.90 ALDH1A1 (0.67) KDM4EF13A1SMN1; SMN2ALDH1A1GLA
SCHEMBL15359162 0.86 MAPT (0.59) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL1695076 0.85 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL22145338 0.84 ALDH1A1 (0.62) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8233676 0.84 MAPT (0.65) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10592850 0.84 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1804701 0.83 NPC1 (0.58) SMN1; SMN2ALDH1A1GLARAB9ANPC1
SCHEMBL8393893 0.83 CNR1 (0.61) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14521463 0.83 KMT2A (0.65) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL20718868 0.82 ALDH1A1 (0.60) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430355-B Coating liquid for coating resist pattern and pattern forming method 日产化学工业株式会社 2023-07-14 CN claimed
CN-117886701-A Full-continuous preparation method of 4-nitrophenethylamine 爱斯特(成都)生物制药股份有限公司 2024-04-16 CN disclosed
CN-107430355-B Coating liquid for coating resist pattern and pattern forming method 日产化学工业株式会社 2023-07-14 CN disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 CN disclosed
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY PURDUE RESEARCH FOUNDATION 2022-04-28 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
CN-112630347-A HPLC analysis method of 4-nitrophenylethylamine 杭州华东医药集团浙江华义制药有限公司 2021-04-09 CN disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
WO-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 WO disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF KDM4E 2756/4885F13A1 24/4885SMN1; SMN2 374/4885
US-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 KDM4E 1022/4885F13A1 2697/4885SMN1; SMN2 2417/4885
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK KDM4E 951/4885F13A1 2802/4885SMN1; SMN2 1278/4885
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY FOLH1, FOLR2, FOLR1 KDM4E 1706/4885F13A1 320/4885SMN1; SMN2 3648/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK KDM4E 951/4885F13A1 2802/4885SMN1; SMN2 1278/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.