SCHEMBL6847622

SCHEMBL6847622

O=[N+]([O-])c1c(Br)c([N+](=O)[O-])c2nsnc2c1Br.O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c2nsnc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.30
▸ TXNRD3 Q86VQ6 1/20 0.30
▸ TXNRD2 Q9NNW7 1/20 0.30

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
SCHEMBL5708807 0.87 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL5708847 0.87 TSHR (0.42) TSHRMAPTTXNRD1TXNRD3TXNRD2
SCHEMBL19456660 0.85 MAPT (0.36) TSHRMAPTTXNRD1TXNRD3TXNRD2
SCHEMBL13219689 0.78 MAPT (0.40) MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL2418995 0.78 MAPT (0.42) TSHRMAPTTXNRD1TXNRD3TXNRD2
SCHEMBL12170150 0.73 MAPT (0.39) MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL18217202 0.70 MAPT (0.41) MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL3476651 0.65 TSHR (0.65) TSHRMAPTTXNRD1TXNRD3TXNRD2
SCHEMBL3518192 0.65 ALDH1A1 (0.38) TSHRMAPT
SCHEMBL5708797 0.64 ALDH1A1 (0.48) TSHRMAPTTXNRD1TXNRD3TXNRD2

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-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
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B TSHR 2949/4885MAPT 2273/4885TXNRD1 1031/4885

“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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