SCHEMBL800073

SCHEMBL800073

COC(=O)/C(Cc1ccc(C(=O)N2CCNCC2)cc1)=C(\C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
ACACB O00763 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL304167 0.89 HPGD (0.44) HPGDSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL304165 0.89 HPGD (0.44) HPGDSIGMAR1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL306263 0.88 HPGD (0.46) HPGDSIGMAR1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL306261 0.88 HPGD (0.46) HPGDSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL800777 0.86 HPGD (0.51) HPGDALDH1A1KMT2AACACBHRH3
SCHEMBL800080 0.83 IDO1 (0.40) MEN1KMT2AHRH3
SCHEMBL10193639 0.78 SIGMAR1 (0.50) HPGDSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL800598 0.78 KMT2A (0.44) ALDH1A1KMT2AACACB
SCHEMBL304172 0.77 SIGMAR1 (0.49) HPGDSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL304170 0.77 SIGMAR1 (0.49) HPGDSIGMAR1MEN1ALDH1A1KMT2A

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-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA HPGD 775/4885SIGMAR1 2991/4885MEN1 332/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA HPGD 905/4885SIGMAR1 3225/4885MEN1 339/4885

“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.