SCHEMBL5577480

SCHEMBL5577480

Cc1c(Cl)cccc1C(=O)NCc1ccc(C2(C#N)CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 5/20 0.54
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRL1 P41146 1/20 0.46
OPRM1 P35372 1/20 0.44
TOP1 P11387 2/20 0.43
CHRM4 P08173 1/20 0.41
PRKAA2 P54646 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL5577294 0.92 MT-CO2 (0.49) MT-CO2MEN1RAB9AKMT2AOPRL1
SCHEMBL5577401 0.87 MT-CO2 (0.47) MT-CO2MEN1RAB9AKMT2AOPRL1
SCHEMBL5577488 0.87 PDE4A (0.48) MT-CO2MEN1KMT2AOPRL1CHRM3
SCHEMBL5577806 0.86 MT-CO2 (0.45) MT-CO2MEN1RAB9AKMT2ATOP1
SCHEMBL5577559 0.85 MAPK8 (0.43) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577537 0.84 MT-CO2 (0.43) MT-CO2MEN1RAB9AKMT2ATOP1
SCHEMBL5577459 0.84 MT-CO2 (0.42) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577324 0.82 PRKAA2 (0.49) OPRL1OPRM1PRKAA2SMN1; SMN2MCHR1
SCHEMBL5577917 0.81 PDE4A (0.47) MT-CO2MEN1KMT2AOPRL1OPRM1
SCHEMBL5577531 0.78 MT-CO2 (0.54) MT-CO2MEN1RAB9AKMT2APRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MT-CO2 2047/4885MEN1 748/4885RAB9A 1953/4885

“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.