SCHEMBL503939

SCHEMBL503939

Cc1[c]nc(-c2ccc(Br)o2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.42
RAB9A P51151 13/20 0.42
SMN1; SMN2 Q16637 12/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
POLB P06746 4/20 0.42
PTK2B Q14289 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 7/20 0.39
HSD17B10 Q99714 6/20 0.39
TP53 P04637 5/20 0.39
PKM P14618 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 2/20 0.38
PRNP P04156 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL11983825 0.67 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL504678 0.67 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15827302 0.65 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17811141 0.58 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1569445 0.58
SCHEMBL15922168 0.57 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20267194 0.57 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1596616 0.56 KDM4E (0.59) NPC1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL19056342 0.55 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5224048 0.54 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 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 (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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 NPC1 2325/4885RAB9A 4507/4885SMN1; SMN2 3480/4885

“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.