SCHEMBL19742874

SCHEMBL19742874

CS(=O)(=O)c1ccc(C(C#N)(C(N)=O)C(C#N)(C(N)=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CCR2 P41597 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL19742873 0.78 FLT1 (0.40) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1264392 0.72 MAPK1 (0.46) MAPTCYP3A4GAAMEN1KMT2A
SCHEMBL1995690 0.69 ALDH1A1 (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29398386 0.69 ALDH1A1 (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12339098 0.68 GAA (0.54) MAPTCYP3A4GAAKMT2APOLB
SCHEMBL16019375 0.68 CCR2 (0.47) MAPTGAAMEN1KMT2APKM
SCHEMBL7039417 0.68 ALDH1A1 (0.51) MAPTCYP3A4GAAMEN1KMT2A
SCHEMBL6516177 0.67 SIRT6 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29811879 0.67 SIRT6 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL366474 0.66 ALDH1A1 (0.51) MAPTCYP3A4FLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369412-A1 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD 2017-12-28 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-20170369412-A1 Preparative method for carboxylic acids CBR3, CBR1, QPCT MAPT 4862/4885CYP1A2 581/4885CYP3A4 491/4885

“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.