SCHEMBL5283936

SCHEMBL5283936

CC(C)=NN=c1sccn1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 3/20 0.33
NOTUM Q6P988 1/20 0.33
COMT P21964 1/20 0.32
MEN1 O00255 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5289207 1.00 RAB9A (0.35) RAB9ANPC1KMT2ANOTUMCOMT
SCHEMBL4616194 0.74 ATM (0.41) RAB9ANPC1KMT2ANOTUMMEN1
SCHEMBL4616191 0.74 ATM (0.41) RAB9ANPC1KMT2ANOTUMMEN1
SCHEMBL23727585 0.73 NPC1 (0.43) RAB9ANPC1NOTUMCOMTKDM4E
SCHEMBL23727586 0.73 NPC1 (0.43) RAB9ANPC1NOTUMCOMTKDM4E
SCHEMBL5278410 0.72 NPC1 (0.41) RAB9ANPC1ALDH1A1TDP1
SCHEMBL5291138 0.72 NPC1 (0.41) RAB9ANPC1ALDH1A1TDP1
SCHEMBL5280716 0.70 CYP1A2 (0.50) RAB9ANPC1KMT2ANOTUMMEN1
SCHEMBL5283771 0.70 SMN1; SMN2 (0.43) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL5283764 0.70 SMN1; SMN2 (0.43) RAB9ANPC1RECQLALDH1A1MAPT

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 8 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 claimed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US claimed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US claimed
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
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO 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 RAB9A 3143/4885NPC1 4843/4885KMT2A 1273/4885

“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.