SCHEMBL902457

SCHEMBL902457

Cc1c(NCCNC(=O)/C=C/C(F)(F)F)cc[n+]([O-])c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15294863 0.86 TACR1 (0.32) TACR1SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL902926 0.82 ALDH1A1 (0.33) TACR1SMN1; SMN2ALDH1A1
SCHEMBL16507385 0.79 ALDH1A1 (0.32) TACR1SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL15294861 0.79 ALDH1A1 (0.32) TACR1SMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL903041 0.77 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL21203107 0.76 LY96 (0.34) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL15294864 0.71 CA12 (0.33) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL902994 0.69 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL15295026 0.69 NNMT (0.36) SMN1; SMN2ALDH1A1LMNA
SCHEMBL16507190 0.69 NNMT (0.36) SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO TACR1 709/4885SMN1; SMN2 4016/4885ALDH1A1 1345/4885

“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.