SCHEMBL5370531

SCHEMBL5370531

N=C(N)c1cccc(OC(C(=O)NCCCN2CCOCC2)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.59
PRSS1 P07477 3/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TACR2 P21452 6/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
F2 P00734 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47

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 0.93 KDM4E (0.53) F10KDM4EALDH1A1SMN1; SMN2TACR2
SCHEMBL5372356 0.91 F10 (0.60) F10PRSS1TSHRF2TP53
SCHEMBL5375602 0.87 CYP2C19 (0.55) F10PRSS1KDM4EALDH1A1TP53
SCHEMBL5371300 0.84 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2TACR2HTT
SCHEMBL5372968 0.83 TP53 (0.53) F10PRSS1TSHRTP53
SCHEMBL5372728 0.82 KDM4E (0.51) F10PRSS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5163340 0.81 F10 (0.58) F10PRSS1ALDH1A1TSHRF2
SCHEMBL5366864 0.81 F10 (0.63) F10PRSS1F2
SCHEMBL5168020 0.79 F10 (0.57) F10PRSS1F2NPC1
SCHEMBL5165461 0.79 F10 (0.77) F10PRSS1ALDH1A1SMN1; SMN2F2

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 F10 6/4885PRSS1 88/4885KDM4E 1051/4885

“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.