SCHEMBL17825668

SCHEMBL17825668

CN(C)C=Nc1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL17825666 1.00 KMT2A (0.54) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825623 0.82 KMT2A (0.50) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825624 0.82 KMT2A (0.50) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825619 0.79 KMT2A (0.63) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825618 0.79 KMT2A (0.63) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22632406 0.78 KMT2A (0.67) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22632915 0.78 KMT2A (0.67) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22632914 0.78 KMT2A (0.67) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825688 0.69 KMT2A (0.58) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL17825638 0.69 KMT2A (0.58) KMT2AALDH1A1KDM4EL3MBTL1SMN1; 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 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.

Send feedback