SCHEMBL2172575

SCHEMBL2172575

O=c1[nH]ccc2c(Br)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 1.00
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
BLM P54132 1/20 0.60
PARP15 Q460N3 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
AHR P35869 1/20 0.55
KMT2A Q03164 1/20 0.45
ROCK2 O75116 1/20 0.42
TNKS O95271 1/20 0.42
ROCK1 Q13464 1/20 0.42
PARP14 Q460N5 1/20 0.42

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
SCHEMBL29492688 1.00 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL22457401 0.77 PARP1 (0.62) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL14027180 0.77 PARP1 (0.62) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL307689 0.77 PARP1 (0.62) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1536658 0.75 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL31743106 0.75 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL12463821 0.75 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL29519573 0.75 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL832144 0.75 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL30033470 0.75 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4558483-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
US-20250009723-A1 MANNOSE-DERIVED ANTAGONISTS OF FIMH USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS, INC. 2025-01-09 US disclosed
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2024038282-A1 2-AZA- AND 2-OXABICYCLO[2.1.1]HEXANE DERIVATIVES AS FACTOR XIIA ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 WO disclosed
WO-2024017856-A1 NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20090312276-A1 Compositions and Methods for Treating Cancer IMMUNOGENESIS, INC. 2009-12-17 US disclosed
US-7550496-B2 Compositions and methods for treating cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents THRESHOLD PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20060258656-A1 Compositions and methods for treating cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2006-11-16 US disclosed
EP-1622608-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER Threshold Pharmaceuticals, Inc. (US) 2006-02-08 EP disclosed
WO-2005086951-A2 HYPOXIA-ACTIVATED ANTI-CANCER AGENTS THRESHOLD PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2004087075-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2004-10-14 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 (9 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 PARP1 4602/4885ALDH1A1 891/4885HSD17B10 301/4885
US-20250009723-A1 MANNOSE-DERIVED ANTAGONISTS OF FIMH USEFUL FOR TREATING DISEASE MAN2B2, MAN2A1, MANBA PARP1 1886/4885ALDH1A1 1880/4885HSD17B10 3817/4885
US-20060258656-A1 Compositions and methods for treating cancer HIF1A, HIF1AN, EGLN3 PARP1 711/4885ALDH1A1 306/4885HSD17B10 1716/4885
US-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents HIF1AN, HIF1A, HYOU1 PARP1 495/4885ALDH1A1 1203/4885HSD17B10 3426/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB PARP1 699/4885ALDH1A1 4167/4885HSD17B10 2842/4885
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PARP1 1433/4885ALDH1A1 190/4885HSD17B10 252/4885
US-20090312276-A1 Compositions and Methods for Treating Cancer HIF1A, HIF1AN, EGLN3 PARP1 711/4885ALDH1A1 306/4885HSD17B10 1716/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 PARP1 328/4885ALDH1A1 2267/4885HSD17B10 684/4885
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 PARP1 6/4885ALDH1A1 549/4885HSD17B10 1252/4885

“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.