SCHEMBL16752181

SCHEMBL16752181

NC(=O)c1[c]c(Cl)ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.45
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.35
ADRA2A P08913 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL7305438 0.84 PARP1 (0.48) PARP1CYP3A4CYP2C19HSD17B10MAPT
SCHEMBL2320791 0.80 TSHR (0.39) HSD17B10TSHRTDP1KMT2AMEN1
SCHEMBL15453877 0.78 ALDH1A1 (0.48) MAPTTSHRTDP1L3MBTL1KMT2A
SCHEMBL16752418 0.74 PARP1 (0.45) PARP1CYP3A4CYP2C19HSD17B10MAPT
SCHEMBL15873490 0.74 PARP1 (0.45) PARP1CYP3A4CYP2C19HSD17B10MAPT
SCHEMBL3891739 0.74 CA12 (0.44) CYP3A4CYP2C19HSD17B10MAPTTSHR
SCHEMBL10387983 0.74 HDAC8 (0.39) TSHRPOLBKMT2AALDH1A1
SCHEMBL9181001 0.70 CA12 (0.49) CYP3A4HSD17B10MAPTTSHRL3MBTL1
SCHEMBL11538064 0.70 PARP1 (0.36) PARP1CYP3A4MAPTL3MBTL1LMNA
SCHEMBL6630368 0.69 PARP2 (0.36) PARP1CYP3A4CYP2C19HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 US disclosed
EP-2878594-A1 DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2015-06-03 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 PARP1 3647/4885CYP3A4 1238/4885CYP2C19 1786/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 PARP1 3610/4885CYP3A4 1116/4885CYP2C19 1655/4885

“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.