SCHEMBL3957896

SCHEMBL3957896

c1ccc2c(c1)[nH]c1ncnnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LIMK1 P53667 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
CASP1 P29466 1/20 0.49
MAPK10 P53779 1/20 0.49
CASP7 P55210 1/20 0.49
LMNA P02545 3/20 0.45
EGFR P00533 3/20 0.45
KMT2A Q03164 3/20 0.44
CNR2 P34972 2/20 0.44
MEN1 O00255 2/20 0.44
CA5A P35218 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.42
GPR3 P46089 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL29506315 1.00 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL1521622 0.75 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL10440555 0.75 PARP1 (0.55) MAPTNPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL6686925 0.70 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL29506285 0.70 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL31609494 0.69 ALDH1A1 (0.50) MAPTNPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL4934675 0.69 ALDH1A1 (0.50) MAPTNPC1RAB9ASMN1; SMN2LIMK1
SCHEMBL903237 0.69 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2TP53
Biphenyl SCHEMBL29177942 0.69 TDO2 (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL29506282 0.69 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2TP53

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 US claimed
US-20240351866-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TOTALENERGIES ONETECH (FR) 2024-10-24 US disclosed
EP-4399178-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TotalEnergies OneTech (FR) 2024-07-17 EP disclosed
US-20230272401-A1 COMPOSITIONS FOR FLCN GENE MODULATION AND METHODS THEREOF Genetic Intelligence, Inc 2023-08-31 US disclosed
US-20230128889-A1 REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS Université Libre de Bruxelles (BE) 2023-04-27 US disclosed
WO-2023036857-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TOTALENERGIES ONETECH (FR) 2023-03-16 WO disclosed
EP-4128250-A1 REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS Université Libre de Bruxelles (BE) 2023-02-08 EP disclosed
EP-3390403-B1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE DERIVATIVES, PROCESS FOR PREPARATION AND USE THEREOF VIVOLUX AB (SE) 2022-06-29 EP disclosed
WO-2021197574-A1 REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS Université Libre de Bruxelles (BE) 2021-10-07 WO disclosed
US-10668056-B2 Pharmaceutical composition comprising indole derivatives, process for preparation and use thereof VIVOLUX AB (SE) 2020-06-02 US disclosed
EP-2850068-B1 N-(phenyl)-2-[[3-(phenyl)-1H-1,2,4-triazol-5-yl]thio]-acetamide derivatives and related compounds as G protein coupled receptor 17 (GPCR17) modulators for use in the treatment of neuro-degenerative diseases UNIV DEGLI STUDI MILANO (IT) 2019-05-29 EP disclosed
EP-3390403-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE DERIVATIVES, PROCESS FOR PREPARATION AND USE THEREOF Vivolux Ab (SE) 2018-10-24 EP disclosed
US-20180280366-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE DERIVATIVES, PROCESS FOR PREPARATION AND USE THEREOF VIVOLUX AB (SE) 2018-10-04 US disclosed
US-9879030-B2 GPR17 receptor modulators UNIVERSITA′ DEGLI STUDI DI MILANO (IT) 2018-01-30 US disclosed
WO-2017102097-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE DERIVATIVES, PROCESS FOR PREPARATION AND USE THEREOF VIVOLUX AB (SE) 2017-06-22 WO disclosed
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 US disclosed
WO-2009035534-A2 TREATMENT OF ISCHEMIC EYE DISEASE BY THE SYSTEMATIC PHARMACEUTICAL ACTIVATION OF HYPOXIA INDUCIBLE FACTOR (HIF) THE CLEVELAND CLINIC FOUNDATION (US) 2009-03-19 WO disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 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 (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-20180280366-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE DERIVATIVES, PROCESS FOR PREPARATION AND USE THEREOF IDO1, IDO2, TPH1 MAPT 2360/4885NPC1 1123/4885RAB9A 1977/4885
US-20230272401-A1 COMPOSITIONS FOR FLCN GENE MODULATION AND METHODS THEREOF TARDBP, FUS, RBM17 MAPT 343/4885NPC1 2076/4885RAB9A 2469/4885
US-20150141410-A1 GPR17 Receptor Modulators GPR65, GPR27, GPR17 MAPT 1710/4885NPC1 868/4885RAB9A 2491/4885
US-10668056-B2 Pharmaceutical composition comprising indole derivatives, process for preparation and use thereof IDO1, IDO2, TPH1 MAPT 2360/4885NPC1 1123/4885RAB9A 1977/4885

“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.