SCHEMBL453989

SCHEMBL453989

CC(C)=Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.58
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NR4A1 P22736 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TOP2A P11388 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL28596741 0.89 TDP1 (0.49) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL18803863 0.84 TDP1 (0.62) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL22402374 0.83 TDP1 (0.55) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL26947300 0.83 TDP1 (0.55) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL26947353 0.83 TDP1 (0.55) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL9233936 0.81 TDP1 (0.53) TDP1RAB9ANPC1MEN1KMT2A
Methyl Alcohol SCHEMBL28478479 0.80 NPC1 (0.89) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL25083241 0.79 TDP1 (0.52) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL12649200 0.79 TDP1 (0.52) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL12598389 0.79 TDP1 (0.52) TDP1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027254-A Isobutylene pyridine salt ionic polymer, preparation method and application thereof, and antibacterial high polymer material 中国石油化工股份有限公司 2024-05-14 CN disclosed
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2023-08-01 US disclosed
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
EP-3939972-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS Molecular Insight Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
US-20220002663-A1 SELECTIVE SALMONELLA OR E. COLI CULTIVATION METHOD, COMPOSITIONS AND USES Solus Scientific Solutions Ltd (GB) 2022-01-06 US disclosed
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2021-11-04 US disclosed
EP-3545978-B1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARM INC (US) 2021-09-08 EP disclosed
US-10898598-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2021-01-26 US disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
EP-3719024-A1 ARGINASE INHIBITORS AS THERAPEUTICS Mars, Incorporated (US) 2020-10-07 EP disclosed
WO-2013022797-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2013-02-14 WO disclosed
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS 2013-02-07 US disclosed
US-20120149708-A1 MODULATORS OF VIRAL TRANSCRIPTION, AND METHODS AND COMPOSITIONS THEREWITH GEORGE MASON UNIVERSITY 2012-06-14 US disclosed
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS MARS, INCORPORATED 2012-05-24 US disclosed
WO-2012058065-A1 BORONATES AS ARGINASE INHIBITORS MARS INCORPORATED (US) 2012-05-03 WO disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2012033525-A2 P53-MDM2 ANTAGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-15 WO disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 US disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 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 (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-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA1 TDP1 3701/4885RAB9A 514/4885NPC1 141/4885
US-11389464-B2 Arginase inhibitors as therapeutics ARG1, ARG2, PRMT1 TDP1 1099/4885RAB9A 1827/4885NPC1 1758/4885
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS PSMA2, PSMA5, PSMA1 TDP1 3120/4885RAB9A 1942/4885NPC1 1344/4885
US-10898598-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA2, PSMA5, PSMA1 TDP1 3120/4885RAB9A 1942/4885NPC1 1344/4885
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA2, PSMA5, PSMA1 TDP1 3120/4885RAB9A 1942/4885NPC1 1344/4885
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS ARG1, ARG2, PRMT1 TDP1 1099/4885RAB9A 1827/4885NPC1 1758/4885
US-20080096894-A1 Anti-Bacterial Compounds MRPL21, PGLS, FOSB TDP1 3783/4885RAB9A 1952/4885NPC1 2717/4885
US-20120149708-A1 MODULATORS OF VIRAL TRANSCRIPTION, AND METHODS AND COMPOSITIONS THEREWITH CDK2, CCNA1, CDK1 TDP1 1939/4885RAB9A 3407/4885NPC1 2751/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 TDP1 1161/4885RAB9A 171/4885NPC1 2297/4885

“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.