SCHEMBL21187507

SCHEMBL21187507

Nc1cnnc(Cl)c1-c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ NISCH Q9Y2I1 1/20 0.38
▸ CLK1 P49759 1/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL21187442 0.81 MAPK14 (0.35) HSD11B1NISCHCLK1GRM2ALOX15
SCHEMBL21187570 0.76 NISCH (0.42) HSD11B1NISCHCLK1CYP17A1HTR5A
SCHEMBL21187508 0.71 HSD11B1 (0.37) HSD11B1NISCHGRM2ALDH1A1GABRG2
SCHEMBL12225775 0.68 KDM4E (0.71) HSD11B1CLK1RAB9AKDM4EALDH1A1
SCHEMBL21187571 0.68 HSD11B1 (0.48) HSD11B1NISCHGRM2KDM4EALDH1A1
SCHEMBL29974866 0.67 HSD11B1 (0.41) HSD11B1NISCHCLK1GRM2KDM4E
SCHEMBL17514609 0.66 NISCH (0.43) HSD11B1NISCHHTR5ARAB9ANPC1
SCHEMBL4503767 0.66 TDO2 (0.54) CLK1
SCHEMBL21187438 0.66 HSD11B1 (0.42) HSD11B1NISCHCLK1CYP17A1RAB9A
SCHEMBL109905 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 HSD11B1 930/4885NISCH 98/4885CLK1 3320/4885

“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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