SCHEMBL5771544

SCHEMBL5771544

Clc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
IDO1 P14902 2/20 0.49
KMT2A Q03164 6/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 4/20 0.47
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
ALPL P05186 1/20 0.46
TTK P33981 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK1 P28482 2/20 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
SCHEMBL5772080 0.89 KDM4E (0.60) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5777148 0.87 KDM4E (0.63) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5776582 0.86 IDO1 (0.67) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5873078 0.84 RAB9A (0.55) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5767848 0.84 CYP19A1 (0.54) CYP19A1KDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5770757 0.84 CDC25A (0.49) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5873083 0.83 NPC1 (0.50) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5769397 0.83 MAP2K4 (0.67) KDM4ESMN1; SMN2RAB9AIDO1KMT2A
SCHEMBL5772284 0.82 KDM4E (0.46) KDM4ESMN1; SMN2RAB9ALMNAIDO1
SCHEMBL5778728 0.81 MEN1 (0.47) KDM4ESMN1; SMN2RAB9ALMNAIDO1

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 CYP19A1 2148/4885KDM4E 2869/4885SMN1; SMN2 4219/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP19A1 2148/4885KDM4E 2869/4885SMN1; SMN2 4219/4885

“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.