SCHEMBL21423113

SCHEMBL21423113

O=C(Nc1cccc([N+](=O)[O-])c1F)c1ccc(O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KCNMA1 Q12791 4/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ RORC P51449 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ G6PD P11413 1/20 0.45

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
SCHEMBL8055064 0.88 RAB9A (0.58) RAB9ASMN1; SMN2KCNMA1MEN1KMT2A
SCHEMBL21422973 0.79 MAPT (0.54) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8041685 0.78 ALDH1A1 (0.58) RAB9ASMN1; SMN2KCNMA1MEN1KMT2A
SCHEMBL8060230 0.77 RAB9A (0.60) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL641132 0.76 PHGDH (0.67) RAB9AKCNMA1MEN1KMT2AALDH1A1
SCHEMBL8055067 0.75 RAB9A (0.60) RAB9ASMN1; SMN2KCNMA1MEN1KMT2A
SCHEMBL10223912 0.75 MAPT (0.67) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8053996 0.75 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL26107843 0.74 NPC1 (0.48) RAB9ASMN1; SMN2KCNMA1MEN1KMT2A
SCHEMBL1138444 0.73 KCNMA1 (0.56) RAB9ASMN1; SMN2KCNMA1MEN1KMT2A

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 RAB9A 2177/4885SMN1; SMN2 1106/4885KCNMA1 1417/4885
US-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 RAB9A 2223/4885SMN1; SMN2 1157/4885KCNMA1 1478/4885

“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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