SCHEMBL5164732

SCHEMBL5164732

N=C(NO)c1cccc(OC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.60
PRSS1 P07477 4/20 0.56
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
F9 P00740 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL5165366 0.91 F10 (0.58) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5164409 0.90 F10 (0.73) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL14408268 0.90 F10 (0.60) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5165480 0.88 F10 (0.63) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5166538 0.88 F10 (0.55) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5164502 0.88 F10 (0.53) F10NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5164792 0.88 F10 (0.62) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL14408287 0.88 F10 (0.57) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5164062 0.88 F10 (0.69) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5166079 0.85 F10 (0.51) F10NPC1RAB9ASMN1; SMN2ALDH1A1

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 6 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
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 6/4885PRSS1 88/4885NPC1 1069/4885

“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.