SCHEMBL3901723

SCHEMBL3901723

Cc1c(/N=N/c2sc([N+](=O)[O-])c[n+]2C)c2ccccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MET P08581 1/20 0.38
MAPT P10636 8/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
XBP1 P17861 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 2/20 0.34
MEN1 O00255 1/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL3901728 1.00 RAB9A (0.45) RAB9ANPC1METMAPTCA12
Bromide SCHEMBL4869013 0.99 RAB9A (0.44) RAB9ANPC1METMAPTCA12
Hydrochloric Acid SCHEMBL4873207 0.99 RAB9A (0.44) RAB9ANPC1METMAPTCA12
Hydrochloric Acid SCHEMBL4873202 0.99 RAB9A (0.44) RAB9ANPC1METMAPTCA12
Bromide SCHEMBL4869009 0.99 RAB9A (0.44) RAB9ANPC1METMAPTCA12
SCHEMBL4869188 0.93 RAB9A (0.42) RAB9ANPC1METMAPTCA12
SCHEMBL5666727 0.86 RAB9A (0.43) RAB9ANPC1METMAPTCA12
Bromide SCHEMBL3903488 0.85 RAB9A (0.42) RAB9ANPC1METMAPTCA12
Hydrochloric Acid SCHEMBL3910912 0.85 NPC1 (0.42) RAB9ANPC1METMAPTCA12
Hydrochloric Acid SCHEMBL3917427 0.85 NPC1 (0.42) RAB9ANPC1METMAPTCA12

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
EP-1716209-B1 USE OF COMPOSITION CONTAINING INDOLYL THIAZOLIUM AZO DYES FOR DYING KERATIN FIBERS WELLA AG (DE) 2009-03-25 EP claimed
US-7431741-B2 Brightening colorant with indolythiazolium dyes WELLA AG (DE) 2008-10-07 US claimed
US-20070180631-A1 Brightening colorant with indolythiazolium dyes Wella GmbH (DE) 2007-08-09 US claimed
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP claimed

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-20070180631-A1 Brightening colorant with indolythiazolium dyes KRT18, TUBB1, IK RAB9A 4591/4885NPC1 4603/4885MET 3184/4885

“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.