SCHEMBL17825618

SCHEMBL17825618

CN(C)/C=N/c1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ CASP1 P29466 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MYC P01106 2/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ HSD17B10 Q99714 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL17825619 1.00 KMT2A (0.63) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL17825688 0.84 KMT2A (0.58) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL17825638 0.84 KMT2A (0.58) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL17825668 0.79 KMT2A (0.54) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL17825666 0.79 KMT2A (0.54) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL28260621 0.78 KMT2A (0.63) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL28260620 0.78 KMT2A (0.63) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL1498095 0.76 TSHR (0.61) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL1498097 0.76 TSHR (0.61) KMT2ACASP1SMN1; SMN2TSHRALDH1A1
SCHEMBL22632406 0.74 KMT2A (0.67) KMT2ACASP1SMN1; SMN2TSHRALDH1A1

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 4286/4885CASP1 727/4885SMN1; SMN2 3148/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 KMT2A 4286/4885CASP1 727/4885SMN1; SMN2 3148/4885

“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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