SCHEMBL6836770

SCHEMBL6836770

COC(=O)c1cccc2[nH]c(SCc3ccc(OC)cc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TP53 P04637 2/20 0.58
CYP2E1 P05181 7/20 0.51
CYP2C8 P10632 7/20 0.51
CYP2D6 P10635 7/20 0.51
CYP2C9 P11712 7/20 0.51
CYP2B6 P20813 7/20 0.51
CYP2C19 P33261 7/20 0.51
CYP1A2 P05177 6/20 0.51
CYP3A4 P08684 6/20 0.51
LMNA P02545 3/20 0.51
RECQL P46063 1/20 0.51
CTSB P07858 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
SCHEMBL6842016 0.89 PARP1 (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6836782 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6836732 0.85 MAPT (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15808958 0.78 PKN1 (0.62) KMT2ALMNAALDH1A1RIPK1PKN1
SCHEMBL2811097 0.76 PARP1 (0.77) PKN1PKN2PARP1PLA2G2AALOX15
SCHEMBL2246151 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6841509 0.74 PARP1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5479149 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Acetic Acid SCHEMBL7318987 0.74 PARP1 (0.72) PKN1PKN2PARP1PLA2G2AALOX15
SCHEMBL1063187 0.73 CYP2E1 (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 2378/4885NPC1 1373/4885SMN1; SMN2 593/4885

“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.