SCHEMBL2113107

SCHEMBL2113107

O=C(CCl)Nc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 2/20 0.60
MITF O75030 2/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CBS P35520 1/20 0.56
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL31022670 1.00 ALDH1A1 (0.60) ALDH1A1HTTPOLBMITFMAPK1
Hydrochloric Acid SCHEMBL9320149 0.98 ALDH1A1 (0.59) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL5145754 0.87 KMT2A (0.62) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL27861904 0.86 KMT2A (0.60) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL9320142 0.86 ALDH1A1 (0.56) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL11802189 0.85 ALDH1A1 (0.67) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL8689535 0.85 MEN1 (0.71) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL31703422 0.85 MEN1 (0.71) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL28172169 0.84 NPC1 (0.58) ALDH1A1HTTPOLBMITFMAPK1
SCHEMBL9912441 0.84 NPC1 (0.58) ALDH1A1HTTPOLBMITFMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US claimed
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 EP disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 US disclosed
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
CN-109897022-B Sphaelactone derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2021-09-14 CN disclosed
CN-112876495-A Parthenolide derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2021-06-01 CN disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2020-08-06 US disclosed
EP-3684776-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE The University of Nottingham (GB) 2020-07-29 EP disclosed
EP-3678656-A1 TOPICAL COMPOSITIONS FOR THE TREATMENT OF CUTANEOUS LEISHMANIASIS AC BioScience SA (CH) 2020-07-15 EP disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
EP-1469845-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES Kalil-Fihlo, Jorge Elias (BR) 2004-10-27 EP disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
WO-2003063858-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES KALIL-FIHLO, JORGE, ELIAS (BR) 2003-08-07 WO disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed
US-4132803-A TOPICAL APPLICATION TO TRACHEA MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4093739-A Mercaptoacylamidobenzoyl glycine and mucolytic process MEAD JOHNSON & COMPANY (US) 1978-06-06 US 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 (4 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-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE CDK1, CDK11A, CDK12 ALDH1A1 4568/4885HTT 839/4885POLB 69/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 ALDH1A1 4568/4885HTT 839/4885POLB 69/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 ALDH1A1 2730/4885HTT 842/4885POLB 2878/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ALDH1A1 285/4885HTT 1849/4885POLB 3645/4885

“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.