SCHEMBL112295

SCHEMBL112295

O=CCNc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.46
BCHE P06276 1/20 0.46
FDPS P14324 1/20 0.44
CTSD P07339 1/20 0.44
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL1150196 0.77 KDM4E (0.51) MDM2BCHEFDPSCTSDKDM4E
SCHEMBL78838 0.76 CA12 (0.48) CTSDL3MBTL1SMN1; SMN2
SCHEMBL7479351 0.75 RAB9A (0.49) FDPSKDM4ERAB9AMEN1KMT2A
SCHEMBL9174077 0.74 CTSD (0.41) MDM2BCHEFDPSCTSDKDM4E
SCHEMBL20113017 0.74 CTSD (0.41) MDM2BCHEFDPSCTSDKDM4E
SCHEMBL3524179 0.73 CA12 (0.33)
SCHEMBL29391487 0.73 BCAT2 (0.33)
SCHEMBL7746721 0.73 MAPT (0.56) KDM4EL3MBTL1RAB9AMEN1KMT2A
SCHEMBL7415060 0.73 CYP1A1 (0.47) KDM4EL3MBTL1MEN1KMT2AGAA
SCHEMBL29411870 0.73 MEN1 (0.46) TAAR1RAB9AMEN1KMT2AGAA

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-0783518-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP claimed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 MDM2 3866/4885BCHE 3122/4885FDPS 1865/4885

“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.