SCHEMBL17022187

SCHEMBL17022187

COC(=O)Nc1ccc(-c2cnc([C@@H](N)Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.51
KLKB1 P03952 5/20 0.49
F10 P00742 1/20 0.49
PLAT P00750 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN10A Q9Y5Y9 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SSTR1 P30872 1/20 0.44
OPRD1 P41143 1/20 0.43
MAPT P10636 1/20 0.43

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
Hydrochloric Acid SCHEMBL29758961 0.99 F11 (0.50) F11KLKB1F10PLATNPC1
Hydrochloric Acid SCHEMBL29758967 0.99 F11 (0.50) F11KLKB1F10PLATNPC1
SCHEMBL18241797 0.89 SSTR1 (0.47) F11KLKB1SCN10AS1PR4S1PR1
Hydrochloric Acid SCHEMBL17008937 0.88 SSTR1 (0.47) F11KLKB1SCN10AS1PR4S1PR1
Hydrochloric Acid SCHEMBL17008908 0.88 SSTR1 (0.47) F11KLKB1SCN10AS1PR4S1PR1
SCHEMBL1196381 0.80 F11 (0.51) F11KLKB1NPC1RAB9ASMN1; SMN2
SCHEMBL16836933 0.80 SSTR1 (0.62) F11KLKB1SCN10ASSTR1
SCHEMBL1197333 0.79 F11 (0.63) F11KLKB1NPC1RAB9ASMN1; SMN2
SCHEMBL1197057 0.79 F11 (0.63) F11KLKB1NPC1RAB9ASMN1; SMN2
SCHEMBL1197260 0.79 SMN1; SMN2 (0.44) F11KLKB1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676723-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP (US) 2017-06-13 US disclosed
US-20160340315-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-24 US disclosed
WO-2015123091-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO 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-20160340315-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI F11 1/4885KLKB1 14/4885F10 11/4885

“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.