SCHEMBL16017444

SCHEMBL16017444

Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2F)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
GAA P10253 1/20 0.55
HTT P42858 1/20 0.52
THRB P10828 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 1/20 0.46
HTR6 P50406 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
S1PR4 O95977 1/20 0.44
POLB P06746 3/20 0.44

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
SCHEMBL28730242 0.84 HTT (0.67) MAPTGAAHTTALDH1A1KMT2A
SCHEMBL29864393 0.84 PTGS1 (0.50) MAPTGAAHTTTHRBALDH1A1
SCHEMBL14887384 0.84 PTGS1 (0.50) MAPTGAAHTTTHRBALDH1A1
SCHEMBL27920240 0.83 MAPT (0.62) MAPTGAAHTTKMT2ASMN1; SMN2
SCHEMBL15442476 0.81 MAPT (0.59) MAPTGAAHTTALDH1A1KMT2A
SCHEMBL7836391 0.78 ALDH1A1 (0.49) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL1532426 0.77 MAPT (1.00) MAPTGAAHTTALDH1A1KMT2A
SCHEMBL2627211 0.77 HTT (0.60) MAPTGAAHTTTHRBALDH1A1
SCHEMBL10362486 0.77 KDM4E (0.50) MAPTGAAHTTMAPK1POLB
SCHEMBL367990 0.76 MAPT (0.47) MAPTTHRBALDH1A1KMT2ALMNA

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885GAA 994/4885HTT 809/4885

“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.