SCHEMBL378101

SCHEMBL378101

COC(=O)C(Br)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PLK1 P53350 1/20 0.44
ACACB O00763 1/20 0.44

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
SCHEMBL1969461 0.84 LMNA (0.48) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL4013745 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2ACACB
SCHEMBL6787347 0.84 ALOX15 (0.49) KMT2ARAB9ANPSR1MEN1HTT
SCHEMBL8185790 0.83 HTT (0.50) KMT2ARAB9ANPSR1MEN1HTT
SCHEMBL8881032 0.82 ESR1 (0.54) KMT2ACA1CA2ALDH1A1CYP1A2
SCHEMBL1564938 0.82 CYP1A2 (0.50) KMT2ARAB9ANPSR1MEN1ALDH1A1
SCHEMBL6844006 0.82 CYP1A2 (0.56) RAB9ANPSR1CA1CA2ALDH1A1
SCHEMBL8933321 0.82 ALDH1A1 (0.47) KMT2ARAB9ANPSR1MEN1HTT
SCHEMBL4776154 0.82 L3MBTL1 (0.45) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4013605 0.82 L3MBTL1 (0.46) KMT2ARAB9AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454531-B2 Substituted piperazine derivatives useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-28 US disclosed
US-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 US disclosed
CN-115175907-A Substituted piperazine derivatives useful as T cell activators 百时美施贵宝公司 2022-10-11 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
WO-2021133749-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
EP-3406602-B1 1-SULFONAMIDO-4-ARYLOXY COMPOUND, AND PREPARATION METHOD AND MEDICINAL APPLICATION THEREOF UNIV CHINA PHARMA (CN) 2020-03-04 EP disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
US-10442759-B2 1-sulfonamido-4-aryloxy compounds, and preparation method and medicinal application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2019-10-15 US disclosed
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-05-21 US disclosed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
EP-1001777-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed
WO-1999004796-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-04 WO disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 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 (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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B KMT2A 2009/4885RAB9A 1988/4885NPSR1 148/4885
US-10442759-B2 1-sulfonamido-4-aryloxy compounds, and preparation method and medicinal application thereof KEAP1, NFE2L2, QSOX1 KMT2A 2633/4885RAB9A 2556/4885NPSR1 443/4885
US-20230118629-A1 SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG KMT2A 1560/4885RAB9A 689/4885NPSR1 2032/4885
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS KMT2A 2258/4885RAB9A 2330/4885NPSR1 2256/4885
US-12454531-B2 Substituted piperazine derivatives useful as T cell activators DGKZ, DGKA, DGKG KMT2A 1560/4885RAB9A 689/4885NPSR1 2032/4885

“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.