SCHEMBL5371065

SCHEMBL5371065

N=C(N)c1cccc(NC(C(=O)NCCN2CCOCC2)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
TACR3 P29371 3/20 0.53
F10 P00742 3/20 0.52
TACR1 P25103 3/20 0.51
CCR2 P41597 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PRSS1 P07477 1/20 0.47
CASR P41180 2/20 0.46
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5372728 0.94 KDM4E (0.51) EPHX2TACR3F10TACR1KDM4E
SCHEMBL5372787 0.85 F10 (0.56) F10CCR2KDM4EPRSS1CYP3A4
Hydrochloric Acid SCHEMBL6371966 0.81 EPHX2 (0.44) EPHX2TACR3KDM4EALDH1A1HPGD
SCHEMBL5165544 0.80 F10 (0.70) F10KDM4EALDH1A1PRSS1
Hydrochloric Acid SCHEMBL6366006 0.80 EPHX2 (0.43) EPHX2KDM4EALDH1A1
SCHEMBL5918544 0.79 F10 (0.63) EPHX2F10KDM4EALDH1A1PRSS1
Hydrochloric Acid SCHEMBL6371655 0.77 EPHX2 (0.44) EPHX2F10ALDH1A1PRSS1
SCHEMBL5370531 0.76 F10 (0.59) F10KDM4EALDH1A1PRSS1
Hydrochloric Acid SCHEMBL6365199 0.76 ITGB3 (0.55) EPHX2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6370358 0.75 GRK2 (0.47) EPHX2F10ALDH1A1PRSS1

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
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 EPHX2 997/4885TACR3 4442/4885F10 6/4885

“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.