SCHEMBL3532005

SCHEMBL3532005

O=C(O)c1ccc(Cc2ccccc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
POLB P06746 5/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47

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
Hydrochloric Acid SCHEMBL4672680 0.98 TDP1 (0.60) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL901472 0.87 TDP1 (0.72) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4672676 0.85 PTGER1 (0.45) TDP1SMN1; SMN2HSD17B10KMT2AALDH1A1
SCHEMBL3222142 0.85 TDP1 (0.58) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL756355 0.85 LMNA (0.56) TDP1KMT2AALDH1A1HTTMAPT
SCHEMBL4150589 0.85 PLA2G10 (0.56) TDP1HSD17B10KMT2AALDH1A1HTT
Bromide SCHEMBL4677319 0.83 TDP1 (0.56) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27588344 0.83 HTT (0.47) TDP1POLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL755891 0.83 TDP1 (0.56) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL24401235 0.82 TDP1 (0.60) TDP1POLBNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
JP-2007536321-A 2007-12-13 JP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
CN-118343938-A Efficient seawater treatment method 陈叶寒 2024-07-16 CN disclosed
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP disclosed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO disclosed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 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 (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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 TDP1 1135/4885POLB 3239/4885NPC1 1045/4885
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 TDP1 1268/4885POLB 1108/4885NPC1 68/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX TDP1 3212/4885POLB 1481/4885NPC1 1072/4885

“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.