SCHEMBL3131072

SCHEMBL3131072

OCCN1CCc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.78
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
USP2 O75604 1/20 0.78
CDK4 P11802 1/20 0.78
ALOX15 P16050 1/20 0.78
CCND1 P24385 1/20 0.78
MAPT P10636 4/20 0.65
KDM4E B2RXH2 2/20 0.65
POLB P06746 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 2/20 0.62
PTK2B Q14289 1/20 0.62
ESR2 Q92731 1/20 0.62
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM1 P11229 3/20 0.49

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
Hydrochloric Acid SCHEMBL25366634 0.98 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29555396 0.89 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450283 0.89 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7068245 0.89 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5660613 0.89 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL19149285 0.87 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL9470338 0.86 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1027312 0.84 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7213519 0.81 ALDH1A1 (0.78) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO disclosed
US-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-06-10 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
WO-1995014666-A1 INDOLYL GROUP CONTAINING COMPOUNDS AND THE USE THEREOF TO PROMOTE THE RELEASE OF GROWTH HORMONE(S) MERCK & CO., INC. (US) 1995-06-01 WO disclosed
US-5202938-A Laminated waveguiding polarizer utilizing polymeric birefringent cladding HOECHST CELANESE CORP. (US) 1993-04-13 US disclosed
US-5186865-A Aminoazobenzene derivatives and polymers ALLIED-SIGNAL INC. (US) 1993-02-16 US disclosed
US-5171803-A Copolymer with side chains exhibiting nonlinear optical response HOECHST CELANESE CORP. 1992-12-15 US disclosed
US-5061404-A WAVEGUIDES ALLIED-SIGNAL INC. (US) 1991-10-29 US disclosed
US-5036142-A Reaction of diazonium salt with addition polymer containing aminophenyl group ALLIED-SIGNAL INC. (US) 1991-07-30 US disclosed
WO-1991009842-A1 ELECTRO-OPTICAL MATERIALS AND LIGHT MODULATOR DEVICES CONTAINING SAME ALLIED-SIGNAL INC. (US) 1991-07-11 WO disclosed
WO-1991009885-A2 PROCESS FOR MAKING ELECTRO-OPTICALLY ACTIVE POLYMERS ALLIED-SIGNAL INC. (US) 1991-07-11 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 (3 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-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, IDO2, INMT ALDH1A1 1952/4885MEN1 4005/4885KMT2A 4235/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 ALDH1A1 4720/4885MEN1 737/4885KMT2A 2780/4885
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV ALDH1A1 1217/4885MEN1 4571/4885KMT2A 2230/4885

“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.