SCHEMBL5164038

SCHEMBL5164038

CN(C(=O)C(Nc1cccc(C(=N)N)c1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.73
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 4/20 0.42
PRSS1 P07477 3/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL14408267 0.90 F10 (0.59) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5164635 0.85 F10 (0.53) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5166204 0.84 F10 (1.00) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5165960 0.84 F10 (1.00) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL14408295 0.84 F10 (0.51) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5371292 0.83 F10 (0.98) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL6808410 0.83 F10 (0.95) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL5164305 0.82 F10 (0.79) F10SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5164064 0.81 F10 (0.95) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2
SCHEMBL6808798 0.81 F10 (0.90) F10CYP1A2CYP2D6CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US claimed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP claimed
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-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP 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 6/4885CYP1A2 162/4885CYP2D6 335/4885

“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.