SCHEMBL22647465

SCHEMBL22647465

COC(=O)C(Cc1ccccc1)NC(=O)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL29405787 1.00 ATM (0.50) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL22647454 1.00 ATM (0.50) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL22649244 0.89 HCRTR1 (0.48) ATMALDH1A1POLB
SCHEMBL22651913 0.89 L3MBTL1 (0.41) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL22651774 0.89 PSEN1 (0.48)
SCHEMBL22634064 0.88 PTPN1 (0.50) ALDH1A1HSD17B10L3MBTL1POLBGAA
SCHEMBL22634065 0.88 PTPN1 (0.50) ALDH1A1HSD17B10L3MBTL1POLBGAA
SCHEMBL22647530 0.86 TSHR (0.48) CYP2C19ALDH1A1L3MBTL1GAACYP3A4
SCHEMBL22649659 0.86 CYP3A4 (0.42) ATMCYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL22647529 0.86 TSHR (0.48) CYP2C19ALDH1A1L3MBTL1GAACYP3A4

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 2 patents. 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
WO-2020227594-A1 COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO 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 3180/4885CYP2C9 1573/4885CYP2C19 1439/4885

“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.