SCHEMBL1001304

SCHEMBL1001304

S=c1[nH]c2ncc(Cl)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
GFER P55789 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PSMB8 P28062 10/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL21074854 0.77 KDM4E (0.50) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13740465 0.77 PSMB8 (0.38) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL21206830 0.74 PSMB8 (0.41) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL21206603 0.73 PSMB8 (0.35) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL21206808 0.73 POLB (0.41) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL21206924 0.73 KDM4E (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL11462753 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL30443775 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL12041942 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL20489666 0.72 KDM4E (0.34) ALDH1A1KDM4EKMT2AGAAMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 CN disclosed
WO-2022233253-A1 METHOD FOR PREPARING NEW 4(3H)-QUINAZOLINONE ANALOG, STRUCTURAL COMPOSITION THEREOF, AND USE THEREOF IN ANTITUMOR DRUGS 杭州星鳌生物科技有限公司 2022-11-10 WO disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 CN disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
US-20150031579-A1 Aza-Benzazolium Containing Cyanine Dyes MOLECULAR PROBES, INC. 2015-01-29 US disclosed
US-8883415-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2014-11-11 US disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
US-20130178395-A1 Aza-Benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2013-07-11 US disclosed
US-20120295817-A1 Aza-benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2012-11-22 US disclosed
US-8252530-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2012-08-28 US disclosed
US-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES Life Technologies Corporation (US) 2011-09-08 US disclosed
US-7871773-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation (US) 2011-01-18 US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 US disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 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 (2 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-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES AZI2, BRDT, DNMT1 ALDH1A1 2967/4885KDM4E 428/4885KMT2A 1323/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT ALDH1A1 1780/4885KDM4E 1905/4885KMT2A 1236/4885

“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.