SCHEMBL5165467

SCHEMBL5165467

N=C(N)c1cccc(OCC(=O)Nc2ccc(N3CCCCC3=O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.68
PRSS1 P07477 6/20 0.68
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
NR4A1 P22736 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5163957 0.83 F10 (0.66) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5165454 0.82 F10 (0.65) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5164810 0.82 F10 (0.60) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5164357 0.82 F10 (0.62) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL7475225 0.81 F10 (1.00) F10PRSS1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5166567 0.81 F10 (0.61) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5166247 0.81 F10 (0.61) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL6807557 0.81 F10 (0.63) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5163257 0.81 F10 (0.63) F10PRSS1NPC1RAB9AALDH1A1
SCHEMBL5164409 0.81 F10 (0.73) F10PRSS1NPC1RAB9AALDH1A1

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.