SCHEMBL1644154

SCHEMBL1644154

CC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCC(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR7 Q9NYK1 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HDAC4 P56524 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL1285373 0.93 ALDH1A1 (0.48) HDAC6MAPTTLR7ALDH1A1HDAC4
SCHEMBL1688378 0.90 HDAC6 (0.47) HDAC6TLR7ALDH1A1HDAC4KMT2A
SCHEMBL1644300 0.81 TLR7 (0.57) MAPTTLR7KMT2AMEN1CCNE2
SCHEMBL1644191 0.79 PIK3CA (0.50) NPSR1TLR7ALDH1A1LMNACYP2C19
SCHEMBL1643369 0.77 NTSR1 (0.53) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL1644115 0.77 ABCG2 (0.50) MAPTNPSR1TLR7ALDH1A1KMT2A
SCHEMBL1644313 0.77 HSD17B10 (0.62) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL1284963 0.76 TRPV1 (0.50) HDAC6TRPV1
SCHEMBL1643365 0.76 KDM4E (0.53) POLBNPSR1TLR7ALDH1A1KMT2A
SCHEMBL4303881 0.73 TLR7 (0.61) POLBTLR7KMT2AMEN1KDM4E

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 HDAC6 340/4885POLB 4421/4885MAPT 3251/4885

“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.