SCHEMBL3781031

SCHEMBL3781031

CCCc1c(-c2ccccn2)ccc2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.39
▸ GABRB3 P28472 4/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ CYBB P04839 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GABRA1 P14867 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL537072 0.78 GSK3B (0.48) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL2344039 0.72 PARP1 (0.40) RAB9AKDM4EHPGDTSHRHSD17B10
SCHEMBL28581876 0.67 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL12668170 0.66 KDM4E (0.46) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL14678660 0.66 KDM4E (0.46) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL11965541 0.66 KDM4E (0.68) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL1892075 0.65 KDM4E (0.45) TDP1KDM4EHPGDNPSR1HSD17B10
SCHEMBL11097773 0.65 CHEK1 (0.46) GABRG2GABRB3GABRA5RAB9ANPC1
SCHEMBL28597691 0.65 ELANE (0.40) SMN1; SMN2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL10911536 0.65 GSK3B (0.41) KDM4EHPGDHSD17B10ALDH1A1GLA

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
US-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-23 — — US disclosed
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 — — EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 — — 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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES CYP51A1, CYP1A2, CYP3A7 GABRG2 91/4885GABRB3 158/4885GABRA5 168/4885

“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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