SCHEMBL7108151

SCHEMBL7108151

NCc1ccccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.45
PRSS1 P07477 2/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL7111701 0.87 F2 (0.55) F2
SCHEMBL7109001 0.80 F2 (0.49) F2PRSS1
SCHEMBL7107947 0.80 F2 (0.55) F2PRSS1F10
SCHEMBL3741954 0.79 F2 (0.48) F2PRSS1F10
SCHEMBL7107981 0.77 F2 (0.52) F2PRSS1LMNACNR1MEN1
SCHEMBL7109860 0.77 F2 (0.55) F2PRSS1
SCHEMBL3741968 0.77 F2 (0.46) F2PRSS1F10
SCHEMBL7112043 0.74 F2 (0.53) F2PRSS1
SCHEMBL7110413 0.72 F2 (0.71) F2
SCHEMBL7113235 0.71 PRSS1 (0.56) F2PRSS1F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 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-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI F2 1/4885PRSS1 74/4885LMNA 3043/4885

“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.