SCHEMBL112248

SCHEMBL112248

O=C(NCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1)c1ccc(OC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 4/20 0.44
TRPV1 Q8NER1 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL111553 0.89 PKM (0.58) RAB9AKMT2APKMTDP1POLB
SCHEMBL110852 0.88 KMT2A (0.59) RAB9AKMT2APOLBTRPV1GAA
SCHEMBL115046 0.82 LMNA (0.58) RAB9AKMT2APOLBGAATP53
SCHEMBL111081 0.82 ALDH1A1 (0.58) RAB9AKMT2APKMTDP1
SCHEMBL111258 0.82 LMNA (0.51) RAB9APOLBGAANPC1LMNA
SCHEMBL112384 0.82 GAA (0.52) RAB9APOLBGAANPC1LMNA
SCHEMBL159522 0.81 POLB (0.65) RAB9AKMT2APKMTDP1POLB
SCHEMBL113246 0.81 GAA (0.52) RAB9APOLBGAANPC1LMNA
SCHEMBL114090 0.79 KMT2A (0.56) RAB9AKMT2APOLBGAATP53
SCHEMBL13076824 0.79 NAMPT (0.52) KMT2ATDP1TRPV1NAMPTADRB2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-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
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US 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 RAB9A 1421/4885KMT2A 3794/4885PKM 3273/4885

“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.