SCHEMBL5154557

SCHEMBL5154557

Nc1cc(C(=O)O)oc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
GPR35 Q9HC97 1/20 0.43
PIM1 P11309 6/20 0.42
CSNK2A1 P68400 4/20 0.42
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42
CSNK2A3 Q8NEV1 3/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
USP2 O75604 1/20 0.41
PTGS1 P23219 1/20 0.41
AKR1B1 P15121 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL26963230 0.79 DAO (0.43) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL29952181 0.77 APEX1 (0.52) DAOGPR35PIM1CSNK2A1CSNK2A2
Hydrochloric Acid SCHEMBL29131528 0.77 DAO (0.42) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL4379207 0.77 KDM4E (0.48) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL29127652 0.74 PIM1 (0.54) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL28439833 0.70 GPR35 (0.46) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL3580343 0.67 CSNK2A1 (0.59) GPR35PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL70569 0.67 KDM4E (0.52) DAOGPR35PIM1CSNK2A1CSNK2A2
SCHEMBL12988092 0.66 NPC1 (0.53) GPR35PIM1CSNK2A1CSNK2A2CSNK2B
Water SCHEMBL3328070 0.65 KDM4E (0.50) DAOGPR35PIM1CSNK2A1CSNK2A2

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
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 DAO 600/4885GPR35 3626/4885PIM1 2091/4885

“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.