SCHEMBL24985136

SCHEMBL24985136

COC(=O)c1nc(-c2ccc(C)cc2)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ PKM P14618 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CTSA P10619 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30185124 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL24985134 0.92 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL24987028 0.89 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL24984501 0.89 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL24986811 0.89 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL30185133 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL24984437 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL24987852 0.87 PLAU (0.43) SMN1; SMN2KDM4EALDH1A1HSD17B10PKM
SCHEMBL24985683 0.87 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL24986855 0.87 PTGS2 (0.48) KDM4EALDH1A1RAB9ANPC1

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT SMN1; SMN2 3265/4885KDM4E 1143/4885ALDH1A1 123/4885

“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.

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