SCHEMBL15923985

SCHEMBL15923985

COC(=O)c1cc(-n2ccc(I)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NOTUM Q6P988 3/20 0.38
AR P10275 1/20 0.38
ELOVL1 Q9BW60 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35

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
SCHEMBL15935035 0.85 ALDH1A1 (0.43) ALDH1A1GAAJMJD6POLBKMT2A
SCHEMBL15923524 0.83 IRAK4 (0.37) ALDH1A1KMT2AKDM4EKDM4CKDM5A
SCHEMBL15924055 0.83 KDM4E (0.45) ALDH1A1JMJD6POLBKMT2AKDM4E
SCHEMBL25703615 0.77 IRAK4 (0.46) ALDH1A1GAAJMJD6POLBKMT2A
SCHEMBL15825472 0.76 ELOVL1 (0.43) NOTUMELOVL1
SCHEMBL15923788 0.76 ALDH1A1 (0.50) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL7827638 0.76 ALDH1A1 (0.48) ALDH1A1JMJD6POLBKMT2AKDM4E
SCHEMBL15924047 0.73 ELOVL1 (0.40) ALDH1A1GAAKMT2AKDM4EL3MBTL1
SCHEMBL24572942 0.73 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EL3MBTL1NOTUM
SCHEMBL29735444 0.73 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EL3MBTL1NOTUM

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-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2934538-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 ALDH1A1 3931/4885GAA 4102/4885JMJD6 225/4885

“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.