SCHEMBL5239704

SCHEMBL5239704

CCNC(=O)N1CCC(N(c2nn(-c3ccccc3)cc2C(=O)OCC)C(=O)[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
DRD4 P21917 1/20 0.38
OPRM1 P35372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL5239714 1.00 NPSR1 (0.41) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5232559 0.91 OPRM1 (0.37) NPSR1USP2ATMALDH1A1OPRM1
SCHEMBL5232570 0.91 OPRM1 (0.37) NPSR1USP2ATMALDH1A1OPRM1
SCHEMBL5233912 0.90 KDM4E (0.42) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5233921 0.90 KDM4E (0.42) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5232225 0.90 NPSR1 (0.43) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5232231 0.90 NPSR1 (0.43) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5236668 0.88 NPSR1 (0.44) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5236674 0.88 NPSR1 (0.44) NPSR1MAPK1USP2ATMKDM4E
SCHEMBL5228332 0.87 NPSR1 (0.46) NPSR1MAPK1USP2ATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L NPSR1 3202/4885MAPK1 3485/4885USP2 3648/4885

“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.