SCHEMBL3501293

SCHEMBL3501293

O=S(=O)(Cl)c1ccc(Br)c2nonc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
NLRP3 Q96P20 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GSTP1 P09211 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PFKFB3 Q16875 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL985487 0.83 RORA (0.47) RORARORCNR1H2NLRP3KMT2A
SCHEMBL4309721 0.81 RORA (0.46) RORARORCNR1H2NLRP3KMT2A
SCHEMBL19143549 0.78 POLB (0.36) RORARORCNR1H2NLRP3KMT2A
SCHEMBL10693669 0.78 POLB (0.37) RORARORCNR1H2NLRP3KMT2A
SCHEMBL680567 0.77 MAPT (0.38) KMT2AHSD17B10MAPTMAPK1MBOAT4
SCHEMBL31082768 0.76 FTO (0.34) KMT2AALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3546857 0.74 TRPV4 (0.47) KMT2AALDH1A1HSD17B10HPGDCYP2C19
SCHEMBL16029823 0.71 MAPT (0.36) RORARORCNR1H2NLRP3KMT2A
SCHEMBL552910 0.70 ALDH1A1 (0.54) KMT2AALDH1A1MAPTMAPK1TP53
SCHEMBL7752552 0.70 RORA (0.46) RORARORCNR1H2NLRP3ALDH1A1

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
CN-114195731-A Hydrogenated nitrosyl donor compound and preparation method thereof 海南大学 2022-03-18 CN claimed
CN-114195731-A Hydrogenated nitrosyl donor compound and preparation method thereof 海南大学 2022-03-18 CN disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 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 (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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR RORA 3470/4885RORC 3869/4885NR1H2 2241/4885

“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.