SCHEMBL1788060

SCHEMBL1788060

Nc1nccc(CSc2ccccc2C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
PRNP P04156 1/20 0.53
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 4/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.48
PTPRG P23470 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 4/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL1787325 0.83 ALDH1A1 (0.60) RAB9AALDH1A1NPC1TP53SMN1; SMN2
SCHEMBL16927708 0.80 HTT (0.63) ALDH1A1SMN1; SMN2GAAPOLBKMT2A
SCHEMBL1785320 0.79 KDR (0.63) RAB9AALDH1A1NPC1CYP1A2POLB
SCHEMBL1786964 0.78 PKM (0.55) ALDH1A1POLBTDP1KMT2AMEN1
SCHEMBL1800354 0.76 PTPRC (0.53) RAB9APRNPALDH1A1PTPRGGAA
SCHEMBL28424352 0.76 RAB9A (0.56) RAB9APRNPALDH1A1NPC1TP53
SCHEMBL28566212 0.75 RAB9A (0.55) RAB9APRNPALDH1A1NPC1TP53
SCHEMBL10802624 0.73 CYP1A2 (0.48) RAB9APRNPALDH1A1NPC1TP53
SCHEMBL1496296 0.71 ALDH1A1 (0.51) RAB9APRNPALDH1A1NPC1SMN1; SMN2
SCHEMBL15143209 0.71 CYP1A2 (0.65) RAB9APRNPALDH1A1NPC1SMN1; SMN2

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-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 RAB9A 2641/4885PRNP 3614/4885ALDH1A1 134/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 RAB9A 3160/4885PRNP 2701/4885ALDH1A1 185/4885

“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.