SCHEMBL5375602

SCHEMBL5375602

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
F10 P00742 2/20 0.51
TACR3 P29371 3/20 0.50
EPHX2 P34913 1/20 0.48
TACR1 P25103 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
PRSS1 P07477 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL5373846 0.94 KDM4E (0.53) CYP2C19CYP2C9F10KDM4EALDH1A1
SCHEMBL5370531 0.87 F10 (0.59) CYP2C19CYP2C9F10KDM4EALDH1A1
SCHEMBL5372968 0.84 TP53 (0.53) F10CYP1A2CYP2D6TP53PRSS1
SCHEMBL5372356 0.77 F10 (0.60) F10CYP1A2CYP2D6TP53PRSS1
SCHEMBL2720343 0.76 CYP2C19 (0.69) CYP2C19CYP2C9EPHX2CYP1A2CYP2D6
SCHEMBL13709830 0.75 F9 (0.68) F10
SCHEMBL5384728 0.75 CYP2C19 (0.56) CYP2C19CYP2C9F10EPHX2CYP1A2
SCHEMBL12310313 0.75 TACR3 (0.59) TACR3EPHX2TACR1HPGDCD274
SCHEMBL12260483 0.75 TACR3 (0.59) TACR3EPHX2TACR1HPGDCD274
SCHEMBL5366864 0.75 F10 (0.63) F10PRSS1

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 CYP2C19 185/4885CYP2C9 161/4885F10 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.