SCHEMBL22366803

SCHEMBL22366803

COC(=O)c1nc(-c2ncc(C)cc2F)cc(NC(C)=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TGFBR1 P36897 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 2/20 0.32
IAPP P10997 1/20 0.32
KDR P35968 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
SMO Q99835 1/20 0.32
NQO2 P16083 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL24984988 0.83 NQO2 (0.36) ALDH1A1KDM4ESMN1; SMN2HSD17B10RAB9A
SCHEMBL24986375 0.82 ALDH1A1 (0.40) ALDH1A1IAPPNQO2TDP1MEN1
SCHEMBL22366853 0.80 ALDH1A1 (0.37) ALDH1A1IAPPNQO2TDP1MEN1
SCHEMBL20727074 0.79 ALPL (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10TGFBR1
SCHEMBL3329762 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AIAPP
SCHEMBL24985088 0.78 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2HSD17B10RAB9A
SCHEMBL3326378 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EPIK3CAIAPPMAPT
SCHEMBL30185280 0.78 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2HSD17B10RAB9A
SCHEMBL2467108 0.78 ADORA3 (0.53) ALDH1A1KDM4ESMN1; SMN2HSD17B10RAB9A
SCHEMBL16127200 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885KDM4E 1143/4885SMN1; SMN2 3265/4885

“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.