SCHEMBL5872930

SCHEMBL5872930

CN(C)CCNC(=O)c1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
AGTR1 P30556 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK8 P45983 5/20 0.53
MAPK10 P53779 2/20 0.53
MAPK14 Q16539 2/20 0.53
GPR84 Q9NQS5 1/20 0.48
PHGDH O43175 1/20 0.44
WNT1 P04628 2/20 0.43
DYRK1A Q13627 2/20 0.43
HTR6 P50406 2/20 0.43
MAP2K4 P45985 1/20 0.42

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
SCHEMBL5769229 0.91 MAPK8 (0.56) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5773440 0.80 MAPK1 (0.53) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5769397 0.80 MAP2K4 (0.67) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7504405 0.76 NPC1 (0.82) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5777148 0.75 KDM4E (0.63) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5772080 0.75 KDM4E (0.60) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5778728 0.74 MEN1 (0.47) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5770666 0.74 MAPK10 (0.53) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5771544 0.73 CYP19A1 (0.51) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5772284 0.73 KDM4E (0.46) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 378/4885NPC1 3508/4885RAB9A 3514/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HPGD 378/4885NPC1 3508/4885RAB9A 3514/4885

“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.