SCHEMBL5332739

SCHEMBL5332739

Sc1nnc(-c2cccs2)n1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
APOBEC3G Q9HC16 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17175787 0.76 KDM4E (0.35) KDM4EGAANPSR1APOBEC3GL3MBTL1
SCHEMBL1104432 0.76 NPSR1 (0.44) GAANPSR1MAPTALDH1A1HPGD
SCHEMBL8044125 0.74 KDM4E (0.47) KDM4EGAANPSR1APOBEC3GL3MBTL1
SCHEMBL8045929 0.73 KDM4E (0.44) KDM4EGAANPSR1APOBEC3GL3MBTL1
SCHEMBL8050181 0.73 KDM4E (0.46) KDM4EGAANPSR1APOBEC3GL3MBTL1
SCHEMBL5435550 0.72 HPGD (0.42) KDM4EGAANPSR1HSD17B10ALDH1A1
SCHEMBL8049864 0.71 KDM4E (0.44) KDM4EGAANPSR1APOBEC3GL3MBTL1
SCHEMBL5417960 0.71 GAA (0.39) KDM4EGAANPSR1HSD17B10ALDH1A1
SCHEMBL1234818 0.70 KDM4E (0.61) KDM4EGAAL3MBTL1MAPTHSD17B10
SCHEMBL3990439 0.70 KDM4E (0.46) KDM4EGAAMAPTHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S KDM4E 736/4885GAA 4628/4885NPSR1 848/4885

“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.