SCHEMBL5281931

SCHEMBL5281931

CC(=O)n1c(=NN=C(C)C)sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
NPC1 O15118 10/20 0.44
RAB9A P51151 10/20 0.44
SMN1; SMN2 Q16637 9/20 0.44
MAPT P10636 8/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 4/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5281927 1.00 KMT2A (0.47) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4615819 0.81 ALDH1A1 (0.50) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4615821 0.81 ALDH1A1 (0.50) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5278396 0.80 MAPT (0.64) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29774515 0.80 MAPT (0.64) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5278390 0.80 MAPT (0.64) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5283238 0.78 MAPT (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5283235 0.78 MAPT (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5282524 0.76 NPSR1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5282522 0.76 NPSR1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT KMT2A 1273/4885NPC1 4843/4885RAB9A 3143/4885

“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.