SCHEMBL18973787

SCHEMBL18973787

CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ BRD4 O60885 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL18625310 0.87 BRD4 (0.40) BRD4ALDH1A1MAPTKMT2ALMNA
SCHEMBL15549951 0.86 MAPT (0.41) CYP19A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL31290998 0.86 CRHBP (0.39) CYP19A1BRD4ALDH1A1MAPTKMT2A
SCHEMBL31191034 0.86 CRHBP (0.39) CYP19A1BRD4ALDH1A1MAPTKMT2A
SCHEMBL16875669 0.80 MDM2 (0.42) CYP19A1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL25357966 0.76 ALDH1A1 (0.40) CYP19A1BRD4ALDH1A1MAPTKMT2A
SCHEMBL25359757 0.75 CYP19A1 (0.58) CYP19A1BRD4MAPTKMT2ASMN1; SMN2
SCHEMBL8511034 0.75 MAPT (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL16884431 0.73 MAPT (0.35) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL25357971 0.72 CYP19A1 (0.39) CYP19A1BRD4ALDH1A1MAPTKMT2A

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-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-15 — — 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-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 CYP19A1 374/4885BRD4 3636/4885ALDH1A1 1420/4885

“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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