SCHEMBL5166642

SCHEMBL5166642

CCCCC(Nc1cccc(C(=N)N)c1)C(=O)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.68
PLAU P00749 2/20 0.51
HPN P05981 2/20 0.51
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
ST14 Q9Y5Y6 1/20 0.41
ITGB3 P05106 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
SCHEMBL5163377 0.95 F10 (0.70) F10PLAUHPNNPC1SMN1; SMN2
SCHEMBL5164139 0.88 F10 (0.70) F10PLAUHPNNPC1SMN1; SMN2
SCHEMBL5164730 0.88 F10 (0.70) F10PLAUHPNNPC1SMN1; SMN2
SCHEMBL5164003 0.88 F10 (0.59) F10NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5167877 0.87 F10 (0.69) F10PLAUHPNNPC1SMN1; SMN2
SCHEMBL5166225 0.86 F10 (0.60) F10NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5164093 0.85 F10 (0.57) F10NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5163266 0.85 F10 (0.66) F10PLAUHPNNPC1SMN1; SMN2
SCHEMBL5166567 0.82 F10 (0.61) F10NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5166247 0.82 F10 (0.61) F10NPC1SMN1; SMN2RAB9AALDH1A1

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 6/4885PLAU 223/4885HPN 773/4885

“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.