SCHEMBL17046380

SCHEMBL17046380

CCCOc1c[c]cc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PARP10 Q53GL7 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ LMNA P02545 1/20 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
▸ CA9 Q16790 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
SCHEMBL16961336 0.92 PLA2G2A (0.47) SMN1; SMN2PARP10PLA2G2ATSHR
SCHEMBL16958804 0.86 PARP10 (0.58) KMT2AALDH1A1MEN1PARP10PLK1
SCHEMBL21268294 0.83 PARP10 (0.40) KMT2AALDH1A1PARP10PLA2G2ATSHR
SCHEMBL6836738 0.82 PLA2G2A (0.54) KMT2AALDH1A1SMN1; SMN2MEN1PARP10
SCHEMBL17046334 0.82 MAPT (0.49) KMT2AALDH1A1SMN1; SMN2L3MBTL1PLA2G2A
SCHEMBL1569898 0.79 ALDH1A1 (0.40) KMT2AALDH1A1MEN1PARP10TSHR
SCHEMBL2232322 0.79 PARP1 (0.55) KMT2AALDH1A1PARP10TSHRMAPK1
SCHEMBL16961985 0.79 SIRT2 (0.41) ALDH1A1SMN1; SMN2PARP10TSHRNR1H4
SCHEMBL1404354 0.78 LTA4H (0.42) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL201524 0.77 KMT2A (0.73) KMT2AALDH1A1SMN1; SMN2PARP10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 — — US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX KMT2A 2596/4885ALDH1A1 1019/4885SMN1; SMN2 4143/4885

“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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