SCHEMBL13294121

SCHEMBL13294121

O=C(C[n+]1c(/C=C/c2ccc(N(CCO)CCO)cc2)sc2ccccc21)NCCS

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 18/20 0.52
▸ APP P05067 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13294128 0.87 INSR (0.50) INSRAPPNPC1NSD2MAPT
SCHEMBL13327539 0.76 MEN1 (0.41) NPC1MAPTHTTRAB9AKMT2A
SCHEMBL13206628 0.75 INSR (0.68) INSRNSD2MAPTMAPK1HTT
SCHEMBL13327523 0.75 CHRM2 (0.39) —
SCHEMBL18467887 0.75 INSR (0.74) INSRAPP
SCHEMBL13908698 0.73 MAPT (0.49) APPNPC1MAPTTHRBPKM
SCHEMBL13294091 0.73 INSR (0.42) INSRNPC1MAPTMAPK1RAB9A
SCHEMBL15587287 0.72 CHRM2 (0.41) —
SCHEMBL13294100 0.70 KDM4E (0.35) HTTKMT2A
SCHEMBL12168410 0.69 HDAC3 (0.33) MAPTHTTKMT2A

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-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 — — US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 — — 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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST INSR 4743/4885APP 538/4885NPC1 4564/4885

“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.

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