SCHEMBL947052

SCHEMBL947052

O=C(c1ccccc1)N1CCSCC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
ALDH1A1 P00352 2/20 0.68
HSD17B10 Q99714 1/20 0.68
SIGMAR1 Q99720 1/20 0.61
ACHE P22303 1/20 0.58
USP2 O75604 1/20 0.58
EPHX1 P07099 1/20 0.57
BLM P54132 1/20 0.56
GRM5 P41594 1/20 0.55
MAPK1 P28482 1/20 0.55
MAOB P27338 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL30566616 0.89 HPGD (0.56) HPGDALDH1A1HSD17B10SIGMAR1ACHE
SCHEMBL252026 0.85 HPGD (0.79) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL7129676 0.85 HPGD (0.79) HPGDALDH1A1SIGMAR1ACHEUSP2
Hydrochloric Acid SCHEMBL1597472 0.83 HPGD (0.76) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL4506219 0.82 HPGD (0.71) HPGDALDH1A1HSD17B10USP2GRM5
SCHEMBL254870 0.81 HPGD (0.96) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL1263133 0.81 HPGD (0.88) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL18228404 0.81 HPGD (0.96) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL3152770 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10GRM5SMN1; SMN2
SCHEMBL2225110 0.81 HPGD (0.64) HPGDALDH1A1HSD17B10SIGMAR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9255658-A None JP disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
JP-H09255658-A DIHYDROQUINOLINE DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1997-09-30 JP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 HPGD 781/4885ALDH1A1 381/4885HSD17B10 3973/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 HPGD 781/4885ALDH1A1 381/4885HSD17B10 3973/4885

“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.