SCHEMBL1644476

SCHEMBL1644476

Cc1ccc([C@@H](C)NC(=O)c2ccc3cc(Br)ccc3c2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
DHODH Q02127 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PPARG P37231 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1643774 0.87 TP53 (0.55) KMT2ATP53MEN1
SCHEMBL1644966 0.85 KMT2A (0.51) ALDH1A1KMT2ATP53LMNATAS1R3
SCHEMBL1285292 0.84 DHODH (0.48) HPGDALDH1A1KMT2AHSP90AA1GAA
SCHEMBL1644493 0.84 ALOX5 (0.57) KMT2ATP53TAS1R3TAS1R1MEN1
SCHEMBL3037611 0.81 ALDH1A1 (0.62) HPGDALDH1A1KMT2AHSP90AA1GAA
SCHEMBL1643007 0.81 PDE2A (0.47) HPGDTP53PPARG
SCHEMBL1737861 0.79 ALDH1A1 (0.52) HPGDALDH1A1LMNADHODH
SCHEMBL1643824 0.79 ACACB (0.47) HPGDALDH1A1KMT2AHSP90AA1GAA
SCHEMBL1644482 0.79 ACACB (0.47) HPGDALDH1A1KMT2AHSP90AA1GAA
SCHEMBL1643038 0.78 ACACB (0.46) HPGDALDH1A1KMT2AHSP90AA1GAA

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HPGD 510/4885ALDH1A1 1265/4885KMT2A 4280/4885

“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.