SCHEMBL982352

SCHEMBL982352

IN1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
USP2 O75604 1/20 0.54
CDK4 P11802 1/20 0.54
ALOX15 P16050 1/20 0.54
CCND1 P24385 1/20 0.54
SIGMAR1 Q99720 2/20 0.50
MAPT P10636 3/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL10071060 0.86 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL21020932 0.85 TSHR (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL22295672 0.79 HSD17B3 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL24777326 0.76 MEN1 (0.36) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL14215981 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL12959710 0.75 MEN1 (0.46) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL17461304 0.74 MAOA (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1870741 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL19334272 0.73 MAOA (0.53) MEN1KMT2AUSP2SIGMAR1TSHR
SCHEMBL142090 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1446815-A Benzoindoline spironaphthoxazine compound and synthesis method and application thereof RES INST OF PHYSICS AND CHEMIS (CN) 2003-10-08 CN claimed
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS RAIN THERAPEUTICS INC. 2021-11-11 US disclosed
WO-2021218755-A1 SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 (CN) 2021-11-04 WO disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS THE REGENTS OF THE UNIVERSITY OF COLORADO 2020-08-27 US disclosed
WO-2020160174-A1 USES OF COMPOUNDS HAVING ANTI-HSV-1 ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2020-08-06 WO disclosed
CN-104870446-B Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2019-08-13 CN disclosed
CN-108047219-A Substituted pyrimidine radicals and Pyridylpyrrole and pyridinone, its preparation method and its purposes as kinase inhibitor 内尔维阿诺医学科学有限公司 2018-05-18 CN disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
WO-2016034134-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-10 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
CN-1298783-C Preparation of polyvinyl butyral from photochromic nano composite material and its method YANHUA NEW MATERIAL CO LTD TIA (CN) 2007-02-07 CN disclosed
CN-1283745-C Nano composite materials and products of photochromism of heterocyclic ring substituted spirooxazine compounds UNIV NANKAI (CN) 2006-11-08 CN disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
CN-1687300-A Nano composite materials and products of photochromism of heterocyclic ring substituted spirooxazine compounds UNIV NANKAI (CN) 2005-10-26 CN disclosed
CN-1640929-A Preparation of polyvinyl butyral from photochromic nano composite material and its method YANHUA NEW MATERIAL CO LTD TIA (CN) 2005-07-20 CN 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 (4 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-20200268759-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN DRUG-RESISTANT CANCERS EGFR, BRCA1, ERBB2 ALDH1A1 895/4885MEN1 347/4885KMT2A 292/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MEN1 4800/4885KMT2A 4464/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS ALDH1A1 591/4885MEN1 4815/4885KMT2A 3974/4885
US-20210346383-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HER-DRIVEN CANCERS EGFR, VHL, MYC ALDH1A1 1217/4885MEN1 42/4885KMT2A 239/4885

“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.