SCHEMBL6780905

SCHEMBL6780905

NCCNc1cccc(NNc2cccc(NCCO)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CASP6 P55212 2/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
MMP14 P50281 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL5158409 0.84 MAPT (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5011801 0.84 FCGR3B (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8276468 0.76 ENPP2 (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6151959 0.76 KMT2A (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL94041 0.76 FCGR3B (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9480445 0.76 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11472336 0.74 FCGR3B (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5726787 0.73 HPGD (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL456414 0.73 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1431624 0.73 MEN1 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US claimed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK MAPT 666/4885CYP1A2 471/4885CYP3A4 528/4885

“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.