SCHEMBL3176103

SCHEMBL3176103

CC(OC(N)=O)=C(C)c1c(C)nn(C)c1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.39
HTT P42858 5/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 4/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.35
AR P10275 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
SCHEMBL10574982 0.81 POLB (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3180789 0.80 POLB (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3180783 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10575386 0.78 MAPK1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10574623 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3171469 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10576229 0.76 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3181058 0.75 CYP3A4 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3171107 0.74 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13326120 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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
US-7709636-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-04 US disclosed
US-20100016584-A1 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-21 US disclosed
US-7557067-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-13 US disclosed
EP-1748047-A1 PYRAZOLE SULFONYLUREA COMPOUND AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2007-01-31 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 (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-20100016584-A1 Pyrazole sulfonylurea compound and herbicide PDXK, HCN3, SLC6A9 ALDH1A1 1820/4885CYP1A2 1095/4885CYP3A4 815/4885
US-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide GLP1R, MSRB3, PDXK ALDH1A1 893/4885CYP1A2 646/4885CYP3A4 929/4885

“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.