SCHEMBL5039895

SCHEMBL5039895

CNc1nc2oc(N)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GFER P55789 1/20 0.33
SHMT2 P34897 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
MAPT P10636 1/20 0.30
ALPG P10696 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5039606 0.81 CCNA2 (0.37) NPC1RAB9ASMN1; SMN2POLBCCNA2
SCHEMBL5036574 0.76 ILK (0.36) NPC1RAB9APOLBGAAKMT2A
SCHEMBL5041889 0.75 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2GFERGAA
SCHEMBL5036975 0.72 GAA (0.32) GAA
SCHEMBL5036399 0.67 LDHA (0.36) LDHANPC1RAB9ASMN1; SMN2POLB
SCHEMBL4501668 0.66 LDHA (0.53) LDHANPC1RAB9ASMN1; SMN2GFER
SCHEMBL21766276 0.66 SMN1; SMN2 (0.56) LDHANPC1RAB9ASMN1; SMN2GFER
SCHEMBL5039608 0.66 SHMT2 (0.42) LDHANPC1RAB9ASMN1; SMN2POLB
SCHEMBL5039412 0.65 RAB9A (0.46) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL4510083 0.65 NPC1 (0.52) LDHANPC1RAB9ASMN1; SMN2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B LDHA 844/4885NPC1 4651/4885RAB9A 3830/4885

“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.