SCHEMBL1367377

SCHEMBL1367377

O=C(c1ccnc(Cl)c1)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.51
ALDH1A1 P00352 1/20 0.44
RORC P51449 2/20 0.42
RORB Q92753 2/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
RBBP9 O75884 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRM4 Q14833 1/20 0.37
SMARCA2 P51531 1/20 0.36

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
SCHEMBL8492044 0.83 ALDH1A1 (0.47) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL3830934 0.81 PLA2G7 (0.55) PLA2G7ALDH1A1RORBCASP3SENP8
SCHEMBL27623752 0.80 RECQL (0.47) ALDH1A1MAPTTAS1R3TAS1R1TAS1R2
SCHEMBL3835536 0.79 CYP1A2 (0.61) PLA2G7ALDH1A1RORBCASP3SENP8
SCHEMBL3830939 0.78 MAPT (0.57) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL29752158 0.75 PLA2G7 (0.56) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL11708241 0.74 PLA2G7 (0.55) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL175249 0.74 ALDH1A1 (0.67) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL2008703 0.74 PLA2G7 (0.57) PLA2G7ALDH1A1CASP3SENP8SENP7
SCHEMBL8772481 0.73 PLA2G7 (0.53) PLA2G7ALDH1A1RBBP9CYP1A2CYP2D6

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
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S PLA2G7 1034/4885ALDH1A1 134/4885RORC 26/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S PLA2G7 1034/4885ALDH1A1 134/4885RORC 26/4885

“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.