SCHEMBL900397

SCHEMBL900397

CNC(=O)c1c(Cl)cc(C)nc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
DOT1L Q8TEK3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
USP2 O75604 1/20 0.36
PDK2 Q15119 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL31369008 0.80 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL6652987 0.79 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL900419 0.79 ALDH1A1 (0.58) KMT2ASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL18754242 0.79 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL26906303 0.75 MEN1 (0.46) KMT2ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL29827115 0.75 MEN1 (0.46) KMT2ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL19174031 0.73 MEN1 (0.43) KMT2ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL4153078 0.72 SCN9A (0.43) KMT2AALDH1A1LMNAMAPTDOT1L
SCHEMBL3183945 0.72 HTT (0.50) KMT2ASMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL8840383 0.72 POLB (0.57) KMT2ASMN1; SMN2ALDH1A1MAPK1L3MBTL1

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-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS KMT2A 2910/4885SMN1; SMN2 3476/4885ALDH1A1 1547/4885

“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.