SCHEMBL10154039

SCHEMBL10154039

CNS(=O)(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.64
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA14 Q9ULX7 1/20 0.59
DPP4 P27487 1/20 0.58
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
PTGES2 Q9H7Z7 2/20 0.52
BRD1 O95696 2/20 0.51
BRPF1 P55201 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9364845 0.96 PNMT (0.64) PNMTCA12CA1CA2CA7
SCHEMBL10694031 0.82 GFER (0.61) PNMTCA12CA1CA2CA7
SCHEMBL19630971 0.80 KDM4E (0.54) CA12CA1CA2CA7CA14
SCHEMBL26016314 0.80 PNMT (0.55) PNMTDPP4LMNASMN1; SMN2ALDH1A1
SCHEMBL3984892 0.80 PNMT (0.57) PNMTCA12CA1CA2CA7
SCHEMBL19630913 0.80 TDP1 (0.56) CA12CA1CA2CA7CA14
SCHEMBL19627414 0.79 ALDH1A1 (0.55) PNMTCA12CA1CA2CA7
SCHEMBL12828070 0.79 CA12 (0.66) PNMTCA12CA1CA2CA7
SCHEMBL25413474 0.78 PNMT (0.88) PNMTHTR2CHTR2B
SCHEMBL1076217 0.78 PNMT (1.00) PNMTHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
CN-105829305-A NRF2 REGULATORS 葛兰素史密斯克莱知识产权发展有限公司 2016-08-03 CN disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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 (4 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 PNMT 1996/4885CA12 4870/4885CA1 4881/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 PNMT 1996/4885CA12 4870/4885CA1 4881/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PNMT 3813/4885CA12 4462/4885CA1 4177/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 PNMT 1996/4885CA12 4870/4885CA1 4881/4885

“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.