SCHEMBL5778957

SCHEMBL5778957

Oc1ccccc1-c1csc(-c2n[nH]c3ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 4/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CYP19A1 P11511 1/20 0.53
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 4/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
AR P10275 1/20 0.46
SREBF2 Q12772 1/20 0.46
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL5772084 0.84 RAB9A (0.49) SMN1; SMN2RAB9AMEN1MAPTKMT2A
SCHEMBL5873042 0.81 CYP19A1 (0.56) SMN1; SMN2RAB9ACYP19A1MEN1MAPT
SCHEMBL5772080 0.81 KDM4E (0.60) SMN1; SMN2RAB9AMEN1MAPTKMT2A
SCHEMBL9876317 0.78 IDO1 (0.58) RAB9ANPC1HPGDKDM4EGAA
SCHEMBL1194033 0.78 RAB9A (0.80) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL5770648 0.78 MEN1 (0.55) SMN1; SMN2RAB9ACYP19A1MEN1MAPT
SCHEMBL5873123 0.77 LRRK2 (0.64) SMN1; SMN2RAB9ACYP19A1MEN1MAPT
SCHEMBL5777148 0.76 KDM4E (0.63) SMN1; SMN2RAB9AMEN1MAPTKMT2A
SCHEMBL5771544 0.76 CYP19A1 (0.51) SMN1; SMN2RAB9ACYP19A1MEN1MAPT
SCHEMBL5872898 0.76 IDO1 (0.43) RAB9ANPC1HPGDKDM4EGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 4219/4885RAB9A 3514/4885CASP3 1397/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 4219/4885RAB9A 3514/4885CASP3 1397/4885

“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.