SCHEMBL899398

SCHEMBL899398

Cc1cc(NC(C)CNC(=O)O)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.54
GALR3 O60755 1/20 0.54
RAB9A P51151 1/20 0.54
OPRK1 P41145 1/20 0.52
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GUSB P08236 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NCF1 P14598 2/20 0.47
IGF1R P08069 1/20 0.46

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
SCHEMBL19009075 0.78 NR4A2 (0.59) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL28644110 0.77 ALDH1A1 (0.56) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL9588763 0.75 CYP2C19 (0.63) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL12763789 0.75 TLR7 (0.66) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL3056940 0.75 MEN1 (0.51) MEN1KMT2AHTTGALR3CYP2C19
SCHEMBL898599 0.74 CYP2D6 (0.42) SMN1; SMN2MEN1KMT2ARAB9ACYP2C19
SCHEMBL4855474 0.74 HTT (0.75) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL5236710 0.73 OPRK1 (0.73) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL5053541 0.73 HTT (0.73) SMN1; SMN2MEN1KMT2AHTTGALR3
SCHEMBL4852085 0.73 HTT (0.73) SMN1; SMN2MEN1KMT2AHTTGALR3

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 5 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
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP 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 SMN1; SMN2 4016/4885MEN1 1940/4885KMT2A 1641/4885

“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.