SCHEMBL5774853

SCHEMBL5774853

CCOC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.43
PTGS2 P35354 1/20 0.43
GRM6 O15303 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5872933 0.90 KDM4E (0.41) PTGS2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5872941 0.89 CDC7 (0.44) KDM4EMAPK14POLBMAPK1L3MBTL1
SCHEMBL5770580 0.85 CDC7 (0.47) KDM4EPOLBNPC1MAPTRAB9A
SCHEMBL5873216 0.81 KDM4E (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL5773483 0.81 KDM4E (0.51) TRPM8GRM6KDM4EMAPTSMN1; SMN2
SCHEMBL5770483 0.81 RPS6KB1 (0.40) TRPM8KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL5770583 0.80 HCRTR1 (0.42) PTGS2KDM4EALDH1A1HPGDKMT2A
SCHEMBL5872907 0.78 RPA1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5768252 0.77 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL5770001 0.76 LRRK2 (0.40) KDM4ESMN1; SMN2ALDH1A1MAPK1PKM

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 TRPM8 4576/4885PTGS2 1144/4885GRM6 4440/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TRPM8 4576/4885PTGS2 1144/4885GRM6 4440/4885

“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.