SCHEMBL88725

SCHEMBL88725

S=C1CCc2ccccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 3/20 0.65
NPC1 O15118 2/20 0.65
KDM4E B2RXH2 2/20 0.65
HSP90AA1 P07900 1/20 0.65
THRB P10828 1/20 0.65
HK1 P19367 1/20 0.65
MAPK1 P28482 1/20 0.65
RECQL P46063 1/20 0.65
RAB9A P51151 1/20 0.65
GALK1 P51570 1/20 0.65
BLM P54132 1/20 0.65
HKDC1 Q2TB90 1/20 0.65
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL692592 0.87 MAPT (0.61) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL407439 0.83 NPC1 (0.70) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL7443959 0.80 MAPT (0.47) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL28746987 0.79 NPC1 (0.46) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL29453856 0.79 KMT2A (1.00) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL88685 0.79 KMT2A (1.00) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL6469101 0.74 NPC1 (0.72) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4861947 0.73 MAPT (0.72) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL134599 0.73 NPC1 (0.57) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL4227502 0.73 NPC1 (1.00) MEN1KMT2AMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408203-A2 Heterocyclic thione ZENECA LIMITED (GB) 1991-01-16 EP claimed
CN-115073370-B Novel alkylaminos or salts, isomers, preparation method and application thereof 成都硕德药业有限公司 2024-12-17 CN disclosed
CN-115073370-A Novel alkylammonium compound or salt, isomer, preparation method and application thereof 成都硕德药业有限公司 2022-09-20 CN disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3102567-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS University of Tennessee Research Foundation (US) 2016-12-14 EP disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 US disclosed
WO-2015120059-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS YATES CHARLES RYAN (US) 2015-08-13 WO disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
EP-1117648-B1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-1117648-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
WO-2000020397-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-6048873-A SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-11 US disclosed
US-5342937-A Extraction of metals especially gallium ZENECA, LIMITED (GB) 1994-08-30 US disclosed
US-5074911-A Extracting metal values from aqueous solution with immiscible solvent and dissolved heterocyclic thione IMPERICAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-24 US disclosed
EP-0408203-A2 Heterocyclic thione ZENECA LIMITED (GB) 1991-01-16 EP disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP disclosed
EP-0007525-A1 2-(4-Aminopiperidino)-3.4-dihydroquinoline derivatives, processes for their preparation, pharmaceutical compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-06 EP disclosed
US-3953457-A S-TRIAZOLO(4,3-A)QUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1976-04-27 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 (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-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS CTTN, PTK2, CDC42 MEN1 3157/4885KMT2A 3534/4885MAPT 1918/4885
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 MEN1 116/4885KMT2A 2236/4885MAPT 280/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 MEN1 116/4885KMT2A 2236/4885MAPT 280/4885

“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.