SCHEMBL2590156

SCHEMBL2590156

O=S(=O)(c1ccccc1)n1c(Br)cc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MET P08581 1/20 0.41
ENPP1 P22413 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
SLC40A1 Q9NP59 2/20 0.40
G6PD P11413 1/20 0.40
NFKBIA P25963 1/20 0.40
AGTR1 P30556 1/20 0.40
GLO1 Q04760 1/20 0.40
PAX8 Q06710 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
SCHEMBL13575362 0.87 L3MBTL1 (0.58) CYP2C19ALDH1A1LMNAMAPTPTGDR2
SCHEMBL30337641 0.84 CYP2C19 (0.56) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL1772416 0.84 CYP2C19 (0.56) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL28497684 0.82 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL30559878 0.82 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL1773438 0.82 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL8126772 0.81 CYP2C19 (0.57) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL28987741 0.80 CYP2C19 (0.52) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL4876447 0.80 ALDH1A1 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL27681189 0.80 CYP2C19 (0.52) CYP2C19RECQLALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 EP disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 WO disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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 (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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 CYP2C19 629/4885RECQL 3590/4885ALDH1A1 1530/4885

“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.