SCHEMBL19765250

SCHEMBL19765250

Cc1cncc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ TSHR P16473 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ GRIN2D O15399 2/20 0.36
▸ GRIN3B O60391 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN2C Q14957 2/20 0.36
▸ GRIN3A Q8TCU5 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ USP7 Q93009 3/20 0.35
▸ USP47 Q96K76 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TLR9 Q9NR96 2/20 0.35

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
SCHEMBL4633923 0.85 ALDH1A1 (0.56) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL29735720 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL29301459 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL31553067 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL31481303 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL10921245 0.75 ALDH1A1 (0.40) ALDH1A1TSHRTDP1LMNAHTT
SCHEMBL30702012 0.72 ALDH1A1 (0.42) ALDH1A1TSHRTDP1LMNAHTT
SCHEMBL14494900 0.72 ALDH1A1 (0.42) ALDH1A1TSHRTDP1LMNAHTT
SCHEMBL2475362 0.72 TSHR (0.41) ALDH1A1TSHRTDP1LMNAMAPT
SCHEMBL27672326 0.71 HSP90AA1 (0.46) ALDH1A1TSHRTDP1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — 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-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B ALDH1A1 2132/4885TSHR 1358/4885TDP1 53/4885

“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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