SCHEMBL1886423

SCHEMBL1886423

O=[N+]([O-])c1cc(CO)ccc1NCCO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ TSHR P16473 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ PKM P14618 2/20 0.55
▸ MAPT P10636 6/20 0.54
▸ KAT2B Q92831 1/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ PRSS1 P07477 3/20 0.49
▸ HCAR3 P49019 2/20 0.49
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4845008 0.88 ALDH1A1 (0.63) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL5103407 0.88 HCAR3 (0.64) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL5983182 0.88 KAT2B (0.69) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL16848719 0.88 MAPT (0.54) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL6536602 0.84 HCAR3 (0.62) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL18075204 0.84 HCAR3 (0.67) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL18075096 0.84 ALDH1A1 (0.67) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8053888 0.83 ALDH1A1 (0.63) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL127370 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29392416 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 — — US claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 — — EP claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 — — EP claimed
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 — — US disclosed
CN-107635989-B Benzimidazole derivatives as bromodomain inhibitors 葛兰素史克知识产权开发有限公司 2020-12-08 — — CN disclosed
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-06 — — US disclosed
US-10442786-B2 Benzimidazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-15 — — US disclosed
EP-3549939-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 — — EP disclosed
EP-3271349-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-05-15 — — EP disclosed
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-15 — — US disclosed
EP-3271349-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-01-24 — — EP disclosed
EP-1647267-A1 Cosmetic, dermatological and pharmaceutical compositions Clariant Produkte (Deutschland) GmbH (DE) 2006-04-19 — — EP disclosed
US-20050255075-A1 Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes CLARIANT GMBH 2005-11-17 — — US disclosed
US-20050204484-A1 Hair colorants CLARIANT GMBH 2005-09-22 — — US disclosed
EP-1576945-A1 Cosmetic or pharmaceutic composition comprising modified polyorganosiloxane Clariant GmbH (DE) 2005-09-21 — — EP disclosed
EP-1555012-A1 Hair dyeing composition containing anthraquinones Clariant GmbH (DE) 2005-07-20 — — EP disclosed
US-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 — — US disclosed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 — — EP disclosed
US-4835314-A 2-nitroaniline derivatives WELLA AKTIENGESELLSCHAFT (DE) 1989-05-30 — — US disclosed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 — — EP 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 (6 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-10442786-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 ALDH1A1 2160/4885TSHR 864/4885TDP1 2392/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 ALDH1A1 2160/4885TSHR 864/4885TDP1 2392/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 ALDH1A1 2160/4885TSHR 864/4885TDP1 2392/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 ALDH1A1 2160/4885TSHR 864/4885TDP1 2392/4885
US-20050204484-A1 Hair colorants MC1R, CYB5R3, AR ALDH1A1 925/4885TSHR 1543/4885TDP1 4597/4885
US-20050255075-A1 Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes POLH, SGMS2, SGMS1 ALDH1A1 3087/4885TSHR 2675/4885TDP1 1146/4885

“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.

Send feedback