SCHEMBL6969898

SCHEMBL6969898

CSc1[c]cc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
KIF11 P52732 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
MMP3 P08254 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL15009985 0.74 ALDH1A1 (0.48) CYP2A6ALDH1A1MAOAMAOB
SCHEMBL6972591 0.73 MAOB (0.58) ALDH1A1MAOAMAOBKIF11TSHR
SCHEMBL351012 0.71
SCHEMBL1638073 0.69 ALDH1A1 (0.32) CYP2A6ALDH1A1HDAC8TSHR
SCHEMBL16955103 0.69
SCHEMBL6196792 0.69 NOS3 (0.35) ALDH1A1MAOANOS3NOS1
SCHEMBL623156 0.69 CA2 (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL1304450 0.67
SCHEMBL16961417 0.67
SCHEMBL3886159 0.67

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-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 CYP2A6 32/4885ALDH1A1 1019/4885CA12 1952/4885

“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.