SCHEMBL5577840

SCHEMBL5577840

Cc1c(Cl)cccc1C(=O)NCc1scnc1C1(O)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.46
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKAA2 P54646 2/20 0.40
OPRL1 P41146 2/20 0.39
P2RX7 Q99572 1/20 0.39
TOP1 P11387 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
HTR4 Q13639 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5577537 0.90 MT-CO2 (0.43) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577502 0.88 KDM4E (0.41) MEN1KMT2AHTR4CHRM3KDM4E
SCHEMBL5577723 0.86 MT-CO2 (0.46) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577558 0.84 MT-CO2 (0.47) MT-CO2PRKAA2
SCHEMBL5577543 0.83 MT-CO2 (0.44) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577431 0.83 MT-CO2 (0.46) MT-CO2PRKAA2P2RX7HTR4SIGMAR1
SCHEMBL5577623 0.82 MT-CO2 (0.47) MT-CO2MEN1RAB9AKMT2APRKAA2
SCHEMBL5577831 0.82 DRD2 (0.45) MEN1KMT2APRKAA2OPRL1DRD2
SCHEMBL5577874 0.82 MT-CO2 (0.44) MT-CO2PRKAA2KDM4EMAPT
SCHEMBL5577587 0.81 MT-CO2 (0.45) 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.