SCHEMBL435115

SCHEMBL435115

Cc1cc2sccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.46
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RCOR1 Q9UKL0 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PIM1 P11309 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5036813 0.77 KDM1A (0.46) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL5041555 0.77 NTRK1 (0.44) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL24188606 0.74 KDM1A (0.41) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL21921094 0.74 KDM1A (0.50) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL5036630 0.74 MAPT (0.47) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL19229614 0.74 KDM1A (0.49) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL14985268 0.74 KDM1A (0.48) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL5036773 0.72 KDM1A (0.46) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL1788259 0.72 PIM1 (0.52) KDM1AMAPTRAB9AMEN1KMT2A
SCHEMBL19610150 0.72 LMNA (0.42) KDM1AMAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
WO-2017198780-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed
WO-2017142852-A1 COELENTERAZINE ANALOGUES PROMEGA CORPORATION (US) 2017-08-24 WO disclosed
US-20170233789-A1 COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-08-17 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-8471019-B2 Quinoid systems as organic semiconductors BASF SE (DE) 2013-06-25 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8101776-B2 Organic semiconductors and their manufacture BASF SE (DE) 2012-01-24 US disclosed
US-20110017981-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (US) 2011-01-27 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-20090299070-A1 Organic Semiconductors and Their Manufacture CLAP CO., LTD. (KR) 2009-12-03 US disclosed
US-20090261321-A1 Quinoid Systems as Organic Semiconductors CIBA CORPORATION (US) 2009-10-22 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (5 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-20090261321-A1 Quinoid Systems as Organic Semiconductors HRH4, HRH3, H1-0 KDM1A 920/4885MAPT 4172/4885RAB9A 1996/4885
US-20170233789-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 KDM1A 3803/4885MAPT 4859/4885RAB9A 1793/4885
US-20090299070-A1 Organic Semiconductors and Their Manufacture YBX1, CDYL, PROX1 KDM1A 84/4885MAPT 3340/4885RAB9A 4601/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM1A 822/4885MAPT 439/4885RAB9A 3830/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH KDM1A 3305/4885MAPT 4550/4885RAB9A 3819/4885

“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.