SCHEMBL1865699

SCHEMBL1865699

CC(=O)c1ncc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SYK P43405 1/20 0.42
CFTR P13569 1/20 0.42
AGBL2 Q5U5Z8 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15738696 0.80 CFTR (0.57) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL16389665 0.80 AGBL2 (0.54) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL16666657 0.78 KMT2A (0.50) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL15922616 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL9928605 0.78 MAPT (0.47) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL30134211 0.78 MAPT (0.47) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL707954 0.77 MAPT (0.46) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL15862919 0.77 KMT2A (0.49) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL707320 0.77 ALDH1A1 (0.63) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL30056948 0.77 CASP1 (0.52) SMN1; SMN2MAPTALDH1A1KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 SMN1; SMN2 2486/4885MAPT 3950/4885KDM4E 2843/4885

“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.