SCHEMBL12848751

SCHEMBL12848751

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-n3cnc([N+](=O)[O-])c3)ccc1CCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL12848460 0.87 GPR142 (0.37) MAPTALDH1A1STIM1ORAI1
SCHEMBL12848568 0.87 MAPT (0.34) MAPTALDH1A1SMN1; SMN2STIM1ORAI1
SCHEMBL12848966 0.86 MAPT (0.33) MAPTALDH1A1STIM1ORAI1DHODH
SCHEMBL12848567 0.86 MAP3K5 (0.39)
SCHEMBL12848915 0.85 MAPT (0.36) MAPTALDH1A1LMNASMN1; SMN2STIM1
SCHEMBL12848749 0.85 MAPT (0.34) MAPTALDH1A1STIM1ORAI1DHODH
SCHEMBL12848856 0.85 MAPT (0.33) MAPTALDH1A1STIM1ORAI1DHODH
SCHEMBL12848566 0.85 MAP3K5 (0.35) MAPTALDH1A1STIM1ORAI1DHODH
SCHEMBL12848854 0.85 MAPT (0.34) MAPTSTIM1ORAI1DHODH
SCHEMBL12848964 0.83 MAPT (0.33) MAPTSTIM1ORAI1DHODH

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 HTR2A 3969/4885HTR2C 4033/4885HTR2B 3769/4885

“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.