SCHEMBL22139768

SCHEMBL22139768

O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.65
▸ MEN1 O00255 8/20 0.65
▸ RAB9A P51151 3/20 0.61
▸ RORC P51449 2/20 0.57
▸ PABPC1 P11940 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ PTPN5 P54829 1/20 0.56
▸ PTPN11 Q06124 1/20 0.56
▸ EIF4H Q15056 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ MAPT P10636 6/20 0.56
▸ HTT P42858 3/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ AURKA O14965 1/20 0.54
▸ PDPK1 O15530 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ EGFR P00533 1/20 0.54

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
SCHEMBL22139772 0.90 KMT2A (0.65) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL10224183 0.90 RORC (0.57) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL10224187 0.90 MAPT (0.67) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL8060364 0.86 KMT2A (0.64) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL19148638 0.85 MAPT (0.64) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL10224151 0.83 MAPT (0.58) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL16431064 0.82 KMT2A (0.68) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL8204371 0.81 MAPT (0.63) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL8060224 0.81 MAPT (0.65) KMT2AMEN1RAB9ARORCPABPC1
SCHEMBL21423047 0.81 RORC (0.70) KMT2AMEN1RAB9ARORCMAPT

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-10905666-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2021-02-02 — — US disclosed
US-20200197339-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-06-25 — — 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-20200197339-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 KMT2A 3619/4885MEN1 3451/4885RAB9A 2177/4885
US-10905666-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 KMT2A 3704/4885MEN1 3470/4885RAB9A 2223/4885

“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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