SCHEMBL4870156

SCHEMBL4870156

Nc1ncccc1O.Nc1ncccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
NAPRT Q6XQN6 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MMP2 P08253 1/20 0.48
CHRM1 P11229 1/20 0.48
COMT P21964 1/20 0.48
ADRA1A P35348 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 2/20 0.47
IDO1 P14902 1/20 0.47
PSMB5 P28074 1/20 0.47
ALOX15 P16050 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL29358060 1.00
SCHEMBL33700 1.00
Methane SCHEMBL28430816 0.97
Hydrochloric Acid SCHEMBL11635965 0.97
Sulfuric Acid SCHEMBL1712803 0.89 KDM4E (0.56) NOS3NOS1NOS2NAPRTALDH1A1
SCHEMBL6029051 0.87 MMP2 (0.48) NOS3NOS1NOS2NAPRTALDH1A1
1-Naphthol SCHEMBL7142810 0.82 CYP1A2 (0.61) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL16196249 0.80 MKNK1 (0.47) NOS3NOS1NOS2NAPRTALDH1A1
SCHEMBL3272057 0.78 NOS3 (0.47) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL3265555 0.78 PRKCI (0.44) NOS3NOS1NOS2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 NOS3 600/4885NOS1 875/4885NOS2 744/4885

“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.