SCHEMBL3451713

SCHEMBL3451713

Cc1sc(N)c(C(N)=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MAPT P10636 7/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ADORA1 P30542 3/20 0.50
HSD17B10 Q99714 6/20 0.49
HPGD P15428 5/20 0.49
ALOX15 P16050 2/20 0.49
GAA P10253 2/20 0.49
USP2 O75604 2/20 0.49
RECQL P46063 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AIP O00170 1/20 0.47
SGTA O43765 1/20 0.47
TOMM70 O94826 1/20 0.47
STIP1 P31948 1/20 0.47
PPP5C P53041 1/20 0.47
FKBP4 Q02790 1/20 0.47
PPID Q08752 1/20 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
SCHEMBL20831152 0.82 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3497284 0.82 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14364074 0.81 KMT2A (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1622729 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1063435 0.77 KDM4E (0.60) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10633454 0.77 GRM6 (0.60) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3452499 0.75 CYP1A2 (0.55) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11639797 0.74 GAA (0.58) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1622309 0.74 FHIT (0.77) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL28209357 0.74 ALDH1A1 (0.58) ALDH1A1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133129-A2 NOVEL DIHYDROINDENO[1,2-C]PYRAZOLE-3-CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEVELOPMENTAL DISORDERS OR NEURODEGENERATIVE DISEASES, COMPRISING SAME 한국화학연구원 2021-07-01 WO disclosed
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 EP disclosed
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 EP disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
EP-2041124-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. Organon (NL) 2009-04-01 EP disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 WO disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 WO disclosed
EP-0004931-B1 USE OF DERIVATIVES OF FURAN AND THIOPHENE AS PLANT-GROWTH REGULATING AGENTS BAYER AG (DE) 1981-08-05 EP disclosed
US-4240820-A Method of regulating the growth of plants BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 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 (1 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-20080255086-A1 Heterocyclic Derivatives GRIN2C, GRIN3A, GRIN1 ALDH1A1 453/4885MAPT 449/4885LMNA 4311/4885

“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.