SCHEMBL3734375

SCHEMBL3734375

O=S(=O)(O)c1cccc2[nH]c(-c3nc4ccccc4[nH]3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
KDM4E B2RXH2 6/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ABCB11 O95342 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
BTK Q06187 1/20 0.48
GAA P10253 1/20 0.46
HPSE Q9Y251 3/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL3734379 0.91 DHODH (0.45) L3MBTL1GAAAURKBPKN1PKN2
SCHEMBL39083 0.84 DHODH (0.61) RAB9ANPC1GAAHDAC6DHODH
SCHEMBL6574358 0.76 L3MBTL1 (0.57) KDM4EHSD17B10L3MBTL1GAAHPGD
SCHEMBL989259 0.75 L3MBTL1 (0.40) KDM4EL3MBTL1HPGDCDK2DHODH
SCHEMBL172216 0.75 NPC1 (1.00) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL30634854 0.75 NPC1 (1.00) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL30561047 0.75 NPC1 (1.00) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL6519737 0.75 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL3738884 0.75 HDAC6 (0.63) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL4360279 0.75 HDAC6 (0.76) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2

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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP RAB9A 2720/4885KDM4E 1712/4885NPC1 3022/4885

“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.