SCHEMBL5039631

SCHEMBL5039631

CNc1cc2sc(N)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.35
SCN4A P35499 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
AXL P30530 1/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 3/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL5039879 0.80 PIK3CD (0.42) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5036674 0.74 GAA (0.45) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5040075 0.74 CYP2D6 (0.37) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL10790337 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL24163463 0.69 NSD1 (0.43) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5035984 0.69 HTT (0.50) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR
SCHEMBL5036399 0.69 LDHA (0.36) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL5040056 0.67 LMNA (0.33) MAPTCYP1A2LMNAMAPK1PIK3CG
SCHEMBL5041320 0.67 FABP6 (0.38) ALDH1A1
SCHEMBL20975840 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP3A4TP53TSHR

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 ALDH1A1 492/4885SMN1; SMN2 4773/4885CYP3A4 564/4885

“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.