SCHEMBL5708761

SCHEMBL5708761

CC(=O)Nc1cc(Cl)c2nsnc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ MAPT P10636 6/20 0.46
▸ TLR9 Q9NR96 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ SLC9A1 P19634 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 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
SCHEMBL20535978 0.77 TSHR (0.47) MEN1KMT2AMAPTTLR9NPC1
SCHEMBL5708797 0.76 ALDH1A1 (0.48) MEN1KMT2AMAPTTLR9NPC1
SCHEMBL5708902 0.72 ALDH1A1 (0.62) MEN1KMT2AMAPTTLR9NPC1
SCHEMBL12544826 0.71 MAPT (0.40) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9814160 0.70 SLC9A1 (0.42) MEN1KMT2AMAPTTLR9NPC1
SCHEMBL8513944 0.70 MAPT (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8611539 0.70 SLC9A1 (0.64) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL9461983 0.69 GRIN2D (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL9814173 0.69 SLC9A1 (0.44) MEN1KMT2AMAPTTLR9NPC1
SCHEMBL8986411 0.69 ATM (0.52) MEN1KMT2AMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 — — EP claimed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 — — US claimed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 — — EP claimed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — US claimed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 — — WO claimed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 — — EP disclosed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 — — US disclosed
EP-1399445-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-24 — — EP disclosed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 — — EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — US disclosed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — WO disclosed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 — — WO 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B MEN1 2811/4885KMT2A 686/4885MAPT 2273/4885

“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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