SCHEMBL5164860

SCHEMBL5164860

N=C(N)c1cccc(NC(C(=O)Nc2ccc(N3CCCCC3=O)c(F)c2)c2ccccc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.63
PRSS1 P07477 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 2/20 0.35
GAA P10253 1/20 0.35
ST14 Q9Y5Y6 2/20 0.35
HPN P05981 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HGFAC Q04756 1/20 0.35

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
SCHEMBL5165637 0.93 F10 (0.61) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5164794 0.92 F10 (0.60) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5165612 0.91 F10 (0.77) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5163389 0.90 F10 (0.78) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5164537 0.88 F10 (0.67) F10PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL5166110 0.86 F10 (0.46) F10
SCHEMBL5164036 0.85 F10 (0.45) F10
Hydrochloric Acid SCHEMBL28750046 0.85 F10 (0.45) F10
SCHEMBL5164191 0.85 F10 (0.51) F10NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5164146 0.83 F10 (0.42) 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.