SCHEMBL3249753

SCHEMBL3249753

CC1(C)c2ccccc2N2CC(=O)OC21/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 9/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PLIN5 Q00G26 1/20 0.38
▸ ABHD5 Q8WTS1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ APP P05067 6/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL3249754 1.00 NPSR1 (0.41) NPSR1MAPTMEN1KMT2APLIN1
SCHEMBL3249758 1.00 NPSR1 (0.41) NPSR1MAPTMEN1KMT2APLIN1
SCHEMBL3245488 0.86 KMT2A (0.38) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3255392 0.86 KMT2A (0.38) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3245486 0.86 KMT2A (0.38) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3248509 0.84 NPSR1 (0.43) NPSR1MAPTMEN1KMT2APLIN1
SCHEMBL3249744 0.84 NPSR1 (0.43) NPSR1MAPTMEN1KMT2APLIN1
SCHEMBL3251390 0.83 ALDH1A1 (0.39) NPSR1MAPTMEN1KMT2AALOX15
SCHEMBL3251392 0.83 ALDH1A1 (0.39) NPSR1MAPTMEN1KMT2AALOX15
SCHEMBL3253743 0.83 ALDH1A1 (0.39) NPSR1MAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747774-B1 Use of a composition comprising a colouring agent of the styrylic or imino type for dyeing keratinuous fibres OREAL (FR) 2010-05-05 — — EP claimed
US-7585332-B2 Composition containing a styryl or imine type dye and a thiol compound, hair coloring process and device L'OREAL S.A. (FR) 2009-09-08 — — US claimed
US-7399319-B2 Dyeing composition comprising a dye chosen from styryl and imine dyes and methods for dyeing keratin fibers L'OREAL S.A. (FR) 2008-07-15 — — US claimed
US-7585332-B2 Composition containing a styryl or imine type dye and a thiol compound, hair coloring process and device L'OREAL S.A. (FR) 2009-09-08 — — US disclosed
US-7527654-B2 Dyeing process using a dye of styryl or imine type in combination with a weak acid, and device for implementing the process L'OREAL S.A. (FR) 2009-05-05 — — US disclosed
US-20090019645-A1 UNKNOWN L'OREAL S.A. (FR) 2009-01-22 — — US disclosed
US-20080189878-A1 Dyeing process using a dye of styryl or imine type in combination with a weak acid, and device for implementing the process L'OREAL S.A. (FR) 2008-08-14 — — US disclosed
US-7399319-B2 Dyeing composition comprising a dye chosen from styryl and imine dyes and methods for dyeing keratin fibers L'OREAL S.A. (FR) 2008-07-15 — — US disclosed
US-20070174977-A1 Dyeing composition comprising a dye chosen from styryl and imine dyes and methods for dyeing keratin fibers L'OREAL S.A. (FR) 2007-08-02 — — 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 (3 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-20090019645-A1 UNKNOWN KRT18, SQOR, MT-ND5 NPSR1 4671/4885MAPT 1040/4885MEN1 3959/4885
US-20080189878-A1 Dyeing process using a dye of styryl or imine type in combination with a weak acid, and device for implementing the process KRT18, INHA, IK NPSR1 4734/4885MAPT 854/4885MEN1 2999/4885
US-20070174977-A1 Dyeing composition comprising a dye chosen from styryl and imine dyes and methods for dyeing keratin fibers KRT18, INHA, IK NPSR1 4853/4885MAPT 1182/4885MEN1 3368/4885

“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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