SCHEMBL5492709

SCHEMBL5492709

Nc1ncn2cnccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HSP90AA1 P07900 1/20 0.33
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
RPS6KA5 O75582 1/20 0.33
AHCY P23526 3/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 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
SCHEMBL334286 0.70 MAP4K4 (0.42) NUDT1NOS3NOS1NOS2CDC7
SCHEMBL5489397 0.70 IDO1 (0.36) NUDT1LMNAMAPTMEN1ALDH1A1
SCHEMBL21672761 0.69 GRIA1 (0.33)
SCHEMBL5493377 0.68 NUDT1 (0.39) NUDT1LMNAMAPTHSP90AA1CDC7
SCHEMBL21196419 0.65
SCHEMBL399396 0.64 NUDT1 (0.48) NUDT1MAPTNOS3NOS1NOS2
SCHEMBL11000920 0.64 LMNA (0.32) LMNAMAPTMEN1ALDH1A1CYP2D6
SCHEMBL21305163 0.63 PI4KA (0.38) LMNAMAPTMEN1ALDH1A1MAPK1
SCHEMBL21196357 0.63 PTGS1 (0.36) MEN1KMT2ARPS6KA5
Hydrochloric Acid SCHEMBL30404265 0.63 NUDT1 (0.47) NUDT1MAPTCDC7CDK2MAP4K4

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
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US 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 NUDT1 2262/4885LMNA 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.