SCHEMBL17825688

SCHEMBL17825688

COC(=O)c1ccc(/N=C/N(C)C)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ NQO2 P16083 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ PDK4 Q16654 1/20 0.37

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
SCHEMBL17825638 1.00 KMT2A (0.58) KMT2AALDH1A1KDM4EL3MBTL1ABL1
SCHEMBL17825619 0.84 KMT2A (0.63) KMT2AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17825618 0.84 KMT2A (0.63) KMT2AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17825623 0.81 KMT2A (0.50) KMT2AALDH1A1KDM4EL3MBTL1NQO2
SCHEMBL17825624 0.81 KMT2A (0.50) KMT2AALDH1A1KDM4EL3MBTL1NQO2
SCHEMBL6941832 0.79 CA2 (0.50) KMT2AALDH1A1KDM4EL3MBTL1ABL1
SCHEMBL6941837 0.79 CA2 (0.50) KMT2AALDH1A1KDM4EL3MBTL1ABL1
SCHEMBL31306174 0.77 ABL1 (0.51) KMT2AALDH1A1KDM4EL3MBTL1ABL1
SCHEMBL6942872 0.76 KMT2A (0.40) KMT2AALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL6942868 0.76 KMT2A (0.40) KMT2AALDH1A1KDM4EL3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 — — EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 — — US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 — — US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 — — EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 — — 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 KMT2A 4286/4885ALDH1A1 634/4885KDM4E 3407/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 KMT2A 4286/4885ALDH1A1 634/4885KDM4E 3407/4885

“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.

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