SCHEMBL17185656

SCHEMBL17185656

N#C[C]1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL27649386 0.73 CA1 (0.39) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL4946855 0.72 ESR2 (0.33) CA1CA2ALDH1A1KDM4ETSHR
SCHEMBL30459987 0.72 CA1 (0.38) CA1CA2ALDH1A1KDM4EMEN1
SCHEMBL5604696 0.72 CA1 (0.38) CA1CA2ALDH1A1KDM4EMEN1
SCHEMBL7214854 0.72 ALDH1A1 (0.38) CA1CA2ALDH1A1HSD17B10KDM4E
Water SCHEMBL27749315 0.71 CES1 (0.43) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL1941287 0.68 ALDH1A1 (0.40) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL5894113 0.68 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL2926757 0.68 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E
SCHEMBL2324920 0.68 ALDH1A1 (0.35) CA1CA2ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
WO-2015160634-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 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 (2 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI CA1 1929/4885CA2 908/4885GPR84 4477/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI CA1 1929/4885CA2 908/4885GPR84 4477/4885

“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.