SCHEMBL5163366

SCHEMBL5163366

N=C(N)c1cccc(CC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.71
PRSS1 P07477 2/20 0.47
TSHR P16473 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
KCNQ2 O43526 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5164516 0.91 F10 (0.58) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5166719 0.88 F10 (0.55) F10PRSS1SMN1; SMN2ST14F2
SCHEMBL5164751 0.88 F10 (0.56) F10TSHRNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27601431 0.87 F10 (0.55) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5167728 0.87 F10 (0.55) F10TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5165725 0.84 F10 (0.61) F10PRSS1TSHRNPC1RAB9A
SCHEMBL5165960 0.83 F10 (1.00) F10PRSS1TSHRNPC1RAB9A
SCHEMBL5166204 0.83 F10 (1.00) F10PRSS1TSHRNPC1RAB9A
SCHEMBL5164409 0.82 F10 (0.73) F10PRSS1TSHRNPC1RAB9A
SCHEMBL5371292 0.82 F10 (0.98) F10PRSS1TSHRNPC1RAB9A

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 88/4885TSHR 1763/4885

“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.