SCHEMBL6842038

SCHEMBL6842038

CCC(=O)Nc1ccc(SCc2nc3c(C(=O)O)cccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 7/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.40
GAA P10253 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
SCHEMBL6841867 0.91 PARP1 (0.49) DHODHMAPTMEN1KMT2APARP1
SCHEMBL7007252 0.81 PARP1 (0.46) DHODHMEN1KMT2AKDM4EHPGD
SCHEMBL6836845 0.80 PARP1 (0.62) DHODHKDM4EHPGDALDH1A1NPC1
SCHEMBL6842037 0.76 DHODH (0.44) DHODHMAPTMEN1KMT2AKDM4E
SCHEMBL15808131 0.74 KDM4E (0.56) DHODHKDM4EHPGDPARP1
SCHEMBL7200417 0.74 TP53 (0.44) DHODHMAPTTP53POLBPARP1
SCHEMBL6836935 0.73 PARP1 (0.53) PARP1
SCHEMBL6843633 0.73 PARP1 (0.51) DHODHPARP1
SCHEMBL6836940 0.72 PARP1 (0.58) DHODHPARP1
SCHEMBL6841485 0.72 PARP1 (0.58) DHODHPARP1

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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 DHODH 1232/4885MAPT 633/4885MEN1 2975/4885

“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.