SCHEMBL23199299

SCHEMBL23199299

COC(=O)c1ccc(C(N)C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
DPP4 P27487 2/20 0.47
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAPGEF3 O95398 1/20 0.44
STS P08842 1/20 0.44
RAB9A P51151 2/20 0.43
OPRD1 P41143 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL31386185 0.81 CA1 (0.50) MAPTCA1CA2CA12CA9
SCHEMBL8734246 0.81 CA1 (0.50) MAPTCA1CA2CA12CA9
SCHEMBL20504196 0.80 MAPT (0.46) MAPTCA1CA2CA12CA9
SCHEMBL24017001 0.80 CA1 (0.57) MAPTCA1CA2CA12CA9
SCHEMBL24017002 0.80 CA1 (0.57) MAPTCA1CA2CA12CA9
SCHEMBL6011750 0.80 CA1 (0.57) MAPTCA1CA2CA12CA9
SCHEMBL14487928 0.79 CA1 (0.48) MAPTCA1CA2CA12CA9
SCHEMBL942575 0.78 CA1 (0.55) MAPTCA1CA2CA12CA9
SCHEMBL2294346 0.78 CA1 (0.55) MAPTCA1CA2CA12CA9
SCHEMBL881385 0.78 CA1 (0.55) MAPTCA1CA2CA12CA9

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-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
EP-3802538-A1 BROAD-SPECTRUM CARBAPENEMS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 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 (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-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS MGAM, ALPI, SI MAPT 3803/4885CA1 4530/4885CA2 2803/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI MAPT 3803/4885CA1 4530/4885CA2 2803/4885

“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.