SCHEMBL4931495

SCHEMBL4931495

Nc1ccc(N=Nc2ccc(NC(CO)CCO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FYN P06241 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL6838626 0.90 MAPT (0.36) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL3860929 0.79 MAPT (0.41) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL28447576 0.78 MAPT (0.35) MAPTRAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL3857260 0.77 MAPT (0.40) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL25560558 0.77 TLR8 (0.45) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL484007 0.76 MAPT (0.33) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL11693804 0.74 CA2 (0.41) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6671578 0.73 FYN (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL459453 0.73 FYN (0.52) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21379734 0.72 ALDH1A1 (0.44) MAPTMEN1KMT2ATDP1L3MBTL1

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
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 US disclosed
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair CIBA SPECIALTY CHEMICALS CORP. 2008-12-04 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 (2 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-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair STS, CYP2S1, SQOR MAPT 4591/4885RAB9A 4241/4885MEN1 2919/4885
US-20140157529-A1 DISULFIDE DYES KRT18, COL1A1, SULT1A1 MAPT 1432/4885RAB9A 3890/4885MEN1 4833/4885

“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.