SCHEMBL5489397

SCHEMBL5489397

Nc1ccn2cnccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA1 Q09470 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 1/20 0.32
NUDT1 P36639 1/20 0.31
GAA P10253 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
FGFR1 P11362 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL30736148 0.71 SIRT3 (0.41) ALDH1A1CYP2D6TSHRMAPK1CYP11B2
SCHEMBL5492666 0.70 GAA (0.35) IDO1LMNAMAPTMEN1ALDH1A1
SCHEMBL5492709 0.70 NUDT1 (0.35) LMNAMAPTMEN1ALDH1A1CYP2D6
SCHEMBL30736254 0.69 CYP19A1 (0.40) IDO1LMNAMAPTCYP2D6KMT2A
SCHEMBL19756603 0.69 ALOX15 (0.36) IDO1LMNATSHRKMT2AGAA
SCHEMBL334311 0.68 IDO1 (0.47) IDO1LMNAMAPTCYP2D6SMN1; SMN2
SCHEMBL18937794 0.66 IDO1 (0.31) IDO1CYP11B1CYP11B2
SCHEMBL2005732 0.65 ALOX15 (0.40) ALDH1A1MAPK1SMN1; SMN2GAA
SCHEMBL5495169 0.64 SMPD3 (0.37) LMNAMAPTMEN1ALDH1A1CYP2D6
SCHEMBL11000920 0.64 LMNA (0.32) LMNAMAPTMEN1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
CN-1937995-A Keratin dyeing compositions comprising bicyclic 5-6 heteroaromatic dyeing compounds containing a ring-connected nitrogen atom PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 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-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP IDO1 2726/4885LMNA 248/4885MAPT 874/4885

“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.