SCHEMBL3465340

SCHEMBL3465340

NC(=O)C[CH]c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SMARCA2 P51531 6/20 0.37
SMARCA4 P51532 5/20 0.37
EPHX1 P07099 1/20 0.36
NFE2L2 Q16236 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP4K4 O95819 1/20 0.31
TRPA1 O75762 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
PARP1 P09874 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
SCHEMBL3465006 0.80 KDM1A (0.48) ALDH1A1PARP1
SCHEMBL3465310 0.80 CCNC (0.40) CCNCCDK8SMARCA2SMARCA4FFAR1
SCHEMBL3465263 0.80 ADORA3 (0.38) CCNCCDK8ALDH1A1PARP1
SCHEMBL3465648 0.79 GRM2 (0.34) ALDH1A1PARP1
SCHEMBL3465730 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1PARP1
SCHEMBL3464984 0.78 ALDH1A1 (0.40) CCNCCDK8ALDH1A1L3MBTL1
SCHEMBL3256435 0.78 PARP1 (0.38) PARP1
SCHEMBL3465344 0.76 NNMT (0.39)
SCHEMBL3258611 0.76 KMT2A (0.37) ALDH1A1
SCHEMBL3465652 0.76 CA12 (0.32) ALDH1A1

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 RECQL 1965/4885LOX 3862/4885LOXL3 2957/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 RECQL 231/4885LOX 1735/4885LOXL3 2198/4885

“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.