SCHEMBL6963075

SCHEMBL6963075

CSc1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
MAPK1 P28482 1/20 0.37
TNFSF10 P50591 1/20 0.37
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35

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
SCHEMBL6964228 0.75 PDE7A (0.49) ALDH1A1MAPTMAPK1LMNAPKM
SCHEMBL9727286 0.75 MAPT (0.41) HSD17B10ACHEALDH1A1MAPTLMNA
SCHEMBL10706021 0.74 TSHR (0.42) ALDH1A1TSHRMAPTLMNACES1
SCHEMBL218653 0.74 HSD17B10 (0.52) HSD17B10ACHEALDH1A1TDP1RECQL
SCHEMBL11002592 0.72 TSHR (0.42) HSD17B10ACHEALDH1A1TDP1TSHR
SCHEMBL18603 0.71 ALDH1A1 (0.43) HSD17B10ACHEALDH1A1TDP1RECQL
SCHEMBL193215 0.71 ALDH1A1 (0.43) HSD17B10ACHEALDH1A1TDP1RECQL
SCHEMBL973063 0.69 ALDH1A1 (0.44) HSD17B10ACHEALDH1A1TDP1TSHR
SCHEMBL146709 0.69 ALDH1A1 (0.44) HSD17B10ACHEALDH1A1TDP1RECQL
SCHEMBL193032 0.69 HSD17B10 (0.47) HSD17B10ACHEALDH1A1TDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103006-A Calcium channel activator; inotropic agent E. R. SQUIBB & SONS, INC. (US) 1992-04-07 US claimed
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 HSD17B10 708/4885ACHE 746/4885ALDH1A1 1019/4885

“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.