SCHEMBL6836732

SCHEMBL6836732

COC(=O)c1cccc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 1/20 0.58
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL6841348 0.86 PARP1 (0.62) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL6836770 0.85 RAB9A (0.59) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL6836782 0.82 RAB9A (0.48) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL8635405 0.76 MAPT (0.58) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL15808958 0.75 PKN1 (0.62) LMNAALDH1A1PRMT5WDR77PARP1
SCHEMBL6842016 0.74 PARP1 (0.61) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL6841509 0.71 PARP1 (0.56) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL5479149 0.71 RAB9A (0.53) SMN1; SMN2RAB9ALMNANPC1HTT
SCHEMBL7477535 0.71 PARP1 (0.68) PARP1KMT2ARIPK1PKN1PKN2
SCHEMBL24512711 0.70 PKN1 (0.61) PARP1KMT2ARIPK1PKN1PKN2

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 2 patents. 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
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 MAPT 633/4885SMN1; SMN2 593/4885RAB9A 2378/4885

“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.