SCHEMBL21422973

SCHEMBL21422973

O=C(Nc1cccc([N+](=O)[O-])c1F)c1ccc(Cl)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ PHGDH O43175 1/20 0.53
▸ LMNA P02545 4/20 0.53
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8058441 0.88 MAPT (0.56) MAPTALDH1A1HTTPHGDHLMNA
SCHEMBL21423113 0.79 RAB9A (0.53) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL10224183 0.77 RORC (0.57) MAPTALDH1A1HTTLMNANPC1
SCHEMBL22139768 0.77 KMT2A (0.65) MAPTALDH1A1HTTLMNANPC1
SCHEMBL1454743 0.77 MAPT (0.70) MAPTALDH1A1HTTPHGDHLMNA
SCHEMBL10224187 0.76 MAPT (0.67) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL10224200 0.75 MEN1 (0.57) MAPTALDH1A1HTTLMNANPC1
SCHEMBL8060364 0.75 KMT2A (0.64) MAPTALDH1A1HTTLMNANPC1
SCHEMBL10224037 0.74 AURKB (0.45) MAPTALDH1A1HTTPHGDHNPC1
SCHEMBL18585667 0.74 NPC1 (0.60) MAPTALDH1A1PHGDHLMNANPC1

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-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2020-09-15 — — US disclosed
US-20190298670-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES MONTERESEARCH S.R.L. (IT) 2019-10-03 — — 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 (2 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-20190298670-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 MAPT 969/4885ALDH1A1 2168/4885HTT 805/4885
US-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 MAPT 971/4885ALDH1A1 2230/4885HTT 883/4885

“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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