SCHEMBL420259

SCHEMBL420259

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

nearest known ligand 0.62

Predicted protein targets (top 15)

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 5/20 0.54
RAB9A P51151 3/20 0.51
KMT2A Q03164 1/20 0.50
GALR3 O60755 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
PRSS1 P07477 4/20 0.49
HCAR3 P49019 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL29670495 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL6896294 0.91 PRSS1 (0.53) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL17743314 0.88 PRSS1 (0.56) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL420519 0.88 MAPT (0.54) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL26324521 0.84 HCAR3 (0.63) ALDH1A1PKMMAPTRAB9ASMN1; SMN2
SCHEMBL15206115 0.84 APEX1 (0.61) ALDH1A1PKMMAPTRAB9AKMT2A
SCHEMBL563763 0.83 PKM (0.67) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29410422 0.83 ALDH1A1 (0.63) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL29392416 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL24055 0.83 ALDH1A1 (0.63) 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 59 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
US-9499419-B2 Methods and compositions for treatment of skin Special Waters Patents B.V. (NL) 2016-11-22 US disclosed
US-9237999-B2 Cosmetic or pharmaceutical composition comprising modified polyorganosiloxanes CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2016-01-19 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-20130344021-A1 Cosmetic Or Pharmaceutical Composition Comprising Modified Polyorganosiloxanes CLARIANT GMBH (DE) 2013-12-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
EP-1576945-B1 Cosmetic or pharmaceutic composition comprising modified polyorganosiloxane CLARIANT PRODUKTE DEUTSCHLAND (DE) 2012-12-19 EP disclosed
CN-102065835-B Cosmetic or pharmaceutical compositions comprising modified polysiloxanes with at least one carbamate group CLARIANT INT LTD 2012-11-28 CN 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 (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-20130344021-A1 Cosmetic Or Pharmaceutical Composition Comprising Modified Polyorganosiloxanes POLH, SGMS2, SGMS1 ALDH1A1 3115/4885TSHR 2695/4885TDP1 1140/4885
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.