SCHEMBL307884

SCHEMBL307884

N#Cc1ccc(Br)cc1CBr

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
CSNK2A1 P68400 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
AAK1 Q2M2I8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC1A5 Q15758 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL31256059 0.84 NOS3 (0.44) NOS3NOS1NOS2MAOBMAOA
SCHEMBL16897461 0.84 NOS3 (0.44) NOS3NOS1NOS2MAOBMAOA
SCHEMBL29529036 0.83 MPO (0.40) NOS3NOS1NOS2MAOBMAOA
SCHEMBL365958 0.83 MPO (0.40) NOS3NOS1NOS2MAOBMAOA
SCHEMBL30683036 0.82 NOS3 (0.46) NOS3NOS1NOS2MAOBMAOA
SCHEMBL1366457 0.82 NOS3 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL1519547 0.82 CSNK2A1 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL12317793 0.82 NOS3 (0.46) NOS3NOS1NOS2MAOBMAOA
SCHEMBL16955085 0.82 NOS3 (0.46) NOS3NOS1NOS2MAOBMAOA
SCHEMBL27552968 0.79 GSK3B (0.37) NOS3NOS1NOS2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041429-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF UBIX THERAPEUTICS, INC. (KR) 2025-02-06 US disclosed
CN-119019417-A Pyrazole five-membered ring macrocyclic derivative and preparation method and application thereof 山东绿叶制药有限公司 2024-11-26 CN disclosed
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
EP-4428130-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF Ubix Therapeutics, Inc. (KR) 2024-09-11 EP disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
CN-118159532-A Compound with BTK protein degradation activity and medical application thereof 尤比克斯治疗公司 2024-06-07 CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023080732-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-05-11 WO disclosed
WO-2023080732-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-05-11 WO disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 WO disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed
WO-2002070469-A2 SELECTIVE PDE3B INHIBITORS AND USE OF THE SAME IN THERAPY ICOS CORPORATION (US) 2002-09-12 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 (5 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN NOS3 2224/4885NOS1 3378/4885NOS2 3431/4885
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 NOS3 71/4885NOS1 74/4885NOS2 86/4885
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 NOS3 707/4885NOS1 1045/4885NOS2 924/4885
US-20250041429-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF BTK, LYN, SYK NOS3 3104/4885NOS1 3478/4885NOS2 3354/4885
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 NOS3 3602/4885NOS1 4456/4885NOS2 4574/4885

“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.