SCHEMBL18241797

SCHEMBL18241797

NC(Cc1ccccc1)c1ncc(-c2ccc(NC(=O)O)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.47
F11 P03951 7/20 0.47
KLKB1 P03952 7/20 0.47
SCN10A Q9Y5Y9 2/20 0.46
MAPT P10636 3/20 0.46
OPRD1 P41143 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
TP53 P04637 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 SCHEMBL17008908 0.99 SSTR1 (0.47) SSTR1F11KLKB1SCN10AMAPT
Hydrochloric Acid SCHEMBL17008937 0.99 SSTR1 (0.47) SSTR1F11KLKB1SCN10AMAPT
SCHEMBL17022187 0.89 F11 (0.51) SSTR1F11KLKB1SCN10AMAPT
Hydrochloric Acid SCHEMBL29758967 0.88 F11 (0.50) SSTR1F11KLKB1SCN10AMAPT
Hydrochloric Acid SCHEMBL29758961 0.88 F11 (0.50) SSTR1F11KLKB1SCN10AMAPT
SCHEMBL16836933 0.84 SSTR1 (0.62) SSTR1F11KLKB1SCN10A
SCHEMBL19138108 0.81 MAPT (0.41) F11KLKB1MAPTOPRD1TP53
SCHEMBL21925527 0.73 PIN1 (0.46) SSTR1
SCHEMBL20630476 0.73 PIN1 (0.46) SSTR1
SCHEMBL20630812 0.71 MMP2 (0.64) F11KLKB1

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 2 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

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 SSTR1 4663/4885F11 1/4885KLKB1 14/4885

“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.