SCHEMBL113971

SCHEMBL113971

COc1cc(NC(=O)c2ccccc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 7/20 0.66
KCNK3 O14649 7/20 0.66
SORT1 Q99523 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
NLRP3 Q96P20 1/20 0.58
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
JAK2 O60674 2/20 0.55
TYK2 P29597 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
POLB P06746 1/20 0.52
PGR P06401 1/20 0.52

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
SCHEMBL3373348 0.85 KCNK3 (0.74) KCNK9KCNK3RAB9ANPC1NLRP3
SCHEMBL27463945 0.85 KCNK3 (0.66) KCNK9KCNK3RAB9ANPC1HTT
SCHEMBL10344601 0.84 CNR1 (0.63) KCNK9KCNK3SORT1RAB9ANPC1
SCHEMBL15880285 0.83 SORT1 (0.55) KCNK9KCNK3SORT1HDAC4HDAC6
SCHEMBL29572307 0.82 SORT1 (0.65) KCNK9KCNK3SORT1RAB9AHTT
SCHEMBL14875919 0.81 RAB9A (0.62) KCNK9KCNK3RAB9ANPC1NLRP3
SCHEMBL28501821 0.81 SORT1 (0.55) KCNK9KCNK3SORT1RAB9ANPC1
SCHEMBL24150224 0.80 JAK2 (0.60) KCNK9KCNK3RAB9ANPC1HTT
SCHEMBL3989785 0.80 JAK2 (0.60) KCNK9KCNK3SORT1RAB9ANPC1
SCHEMBL15890248 0.80 POLB (0.56) KCNK9KCNK3SORT1HTTSMN1; SMN2

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
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 KCNK9 1549/4885KCNK3 1559/4885SORT1 3950/4885

“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.