SCHEMBL7798097

SCHEMBL7798097

CNNC(=O)C1=CN(CC(=O)c2ccc(C)s2)C=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MIF P14174 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
DAO P14920 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 6/20 0.32
HPGD P15428 3/20 0.32
CASP3 P42574 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL660291 0.94 KMT2A (0.38) KMT2APOLBTDP1TAS1R3TAS1R1
SCHEMBL7800030 0.88 KMT2A (0.39) KMT2APOLBMAPK1ALDH1A1HPGD
SCHEMBL659354 0.87 ALDH1A1 (0.33) KMT2APOLBTDP1TAS1R3TAS1R1
SCHEMBL660361 0.80 GSK3B (0.42) KMT2APOLBNPC1RAB9ADAO
SCHEMBL7808649 0.75 ALDH1A1 (0.42) KMT2APOLBTDP1NPC1RAB9A
SCHEMBL7806353 0.75 ERCC5 (0.37) KMT2APOLBTDP1NPC1RAB9A
SCHEMBL27871718 0.73 ERCC5 (0.43) KMT2APOLBNPC1RAB9AMAPK1
SCHEMBL7810346 0.71 GRIN2B (0.36) KMT2APOLBTDP1NPC1RAB9A
SCHEMBL287773 0.70 ALDH1A1 (0.39) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL661571 0.69 RAB9A (0.52) KMT2ANPC1RAB9AALDH1A1HPGD

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT KMT2A 4512/4885POLB 2267/4885TDP1 1217/4885

“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.