SCHEMBL1603641

SCHEMBL1603641

O=C(Nc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.79
PTPN1 P18031 3/20 0.74
POLB P06746 3/20 0.71
KDM4E B2RXH2 2/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
GAA P10253 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
KMT2A Q03164 2/20 0.66
SIRT1 Q96EB6 1/20 0.66
NQO2 P16083 1/20 0.66
MEN1 O00255 1/20 0.66
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
HTT P42858 1/20 0.63
SNCA P37840 1/20 0.62

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
SCHEMBL11688443 0.94 DEGS1 (0.83) DEGS1PTPN1POLBKDM4ENPC1
N-Phenylbenzamide SCHEMBL27671345 0.92 POLB (0.71) DEGS1PTPN1POLBKDM4EHDAC2
SCHEMBL679222 0.92 DEGS1 (0.79) DEGS1PTPN1POLBKDM4ENPC1
SCHEMBL1315526 0.91 PTPN1 (0.87) PTPN1POLBKDM4EHDAC2HDAC8
SCHEMBL14715847 0.89 PTPN1 (0.84) DEGS1PTPN1POLBKDM4EHDAC2
SCHEMBL8420639 0.89 DEGS1 (0.75) DEGS1PTPN1POLBKDM4ENPC1
SCHEMBL900928 0.89 DEGS1 (0.75) DEGS1PTPN1POLBKDM4ENPC1
SCHEMBL899585 0.89 DEGS1 (0.75) DEGS1PTPN1POLBKDM4ENPC1
SCHEMBL11877527 0.89 DEGS1 (1.00) DEGS1PTPN1POLBKDM4ENPC1
SCHEMBL26953087 0.87 PTPN1 (0.88) PTPN1POLBKDM4EHDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778154-B Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-05-13 CN disclosed
CN-112778154-A Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-05-11 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
CN-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 CN disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
EP-0409069-A2 Mesogenic polycyanates and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 EP disclosed
EP-0379057-A2 Mesogenic epoxy compounds THE DOW CHEMICAL COMPANY (US) 1990-07-25 EP disclosed
EP-0113778-B1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP disclosed
US-4923873-A ANTIARRHYTHMIA AGENTS; SIDE EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4755527-A Aryl substituted aminomethyl benzene derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-05 US disclosed
US-4748184-A Aryl substituted aminomethyl benzene derivatives having antiarrhythmic utility E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed
US-4562201-A ANTIARRHYTHMIA AGNETS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-12-31 US disclosed
EP-0113778-A4 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP disclosed
EP-0113778-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-25 EP disclosed
WO-1984000545-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1984-02-16 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 (3 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK DEGS1 4489/4885PTPN1 61/4885POLB 3356/4885
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 DEGS1 1203/4885PTPN1 2876/4885POLB 1289/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK DEGS1 4489/4885PTPN1 61/4885POLB 3356/4885

“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.