SCHEMBL22649748

SCHEMBL22649748

COC(=O)[C@H](Cc1ccccc1)NC(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.61
▸ POLB P06746 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ NLRP3 Q96P20 1/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL22647454 0.76 ATM (0.50) ATMPOLBL3MBTL1ALDH1A1CYP2C9
SCHEMBL22647465 0.76 ATM (0.50) ATMPOLBL3MBTL1ALDH1A1CYP2C9
SCHEMBL29405787 0.76 ATM (0.50) ATMPOLBL3MBTL1ALDH1A1CYP2C9
SCHEMBL26606018 0.76 CA12 (0.75) ATMPOLBL3MBTL1CA12CA1
SCHEMBL10493865 0.76 ATM (1.00) ATMPOLBL3MBTL1CA12CA1
SCHEMBL26606025 0.76 CA12 (0.75) ATMPOLBL3MBTL1CA12CA1
SCHEMBL2561481 0.76 ATM (1.00) ATMPOLBL3MBTL1CA12CA1
SCHEMBL9555238 0.76 ATM (0.58) ATMPOLBL3MBTL1CA12CA1
SCHEMBL6295802 0.75 ATM (0.68) ATMPOLBL3MBTL1ALDH1A1CYP2C9
SCHEMBL7806984 0.75 ATM (0.68) ATMPOLBL3MBTL1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — 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 (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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC ATM 3180/4885POLB 679/4885L3MBTL1 757/4885

“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.

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