SCHEMBL698253

SCHEMBL698253

[c]1cnn(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HPGD P15428 3/20 0.43
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
STAT1 P42224 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
BLM P54132 1/20 0.32
CASP9 P55211 1/20 0.32

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
SCHEMBL3064942 0.74 NOTUM (0.38) KDM4EALDH1A1TSHRPOLBNOTUM
SCHEMBL4451027 0.67 KDM4E (0.52) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL11861466 0.62 KDM4E (0.67) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL13694017 0.62 HPGD (0.52) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL2211763 0.62 KDM4E (0.46) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL354007 0.61 KDM4E (0.45) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL430176 0.60 GAA (0.42) KDM4EHPGDP2RX7TSHRNPC1
Hydrochloric Acid SCHEMBL5189603 0.60 KDM4E (0.44) KDM4EHPGDP2RX7ALDH1A1TSHR
Bromide SCHEMBL28126767 0.60 KDM4E (0.44) KDM4EHPGDP2RX7ALDH1A1TSHR
SCHEMBL459011 0.60 KDM4E (1.00) KDM4EHPGDP2RX7ALDH1A1TSHR

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 US claimed
US-4016203-A Process for the manufacture of compounds containing vinyl groups CIBA-GEIGY CORPORATION (US) 1977-04-05 US claimed
JP-53034790-A None JP disclosed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
CN-106170486-B Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2019-01-15 CN disclosed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US disclosed
US-4096154-A FORMING A SULFONIUM SALT BY REACTION OF A HALOGEN AS ESTER WITH AN ORGANIC SULFIDE CIBA-GEIGY CORPORATION (US) 1978-06-20 US disclosed
US-4096154-A FORMING A SULFONIUM SALT BY REACTION OF A HALOGEN AS ESTER WITH AN ORGANIC SULFIDE CIBA-GEIGY CORPORATION (US) 1978-06-20 US disclosed
JP-S5334790-A NOVEL NITROSOUREA DERIVATIVES AND THEIR PREPARATION YAMANOUCHI PHARMACEUT CO LTD 1978-03-31 JP disclosed
US-4016203-A Process for the manufacture of compounds containing vinyl groups CIBA-GEIGY CORPORATION (US) 1977-04-05 US disclosed
US-4016203-A Process for the manufacture of compounds containing vinyl groups CIBA-GEIGY CORPORATION (US) 1977-04-05 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 (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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP KDM4E 1727/4885HPGD 500/4885P2RX7 1947/4885
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 KDM4E 2131/4885HPGD 2559/4885P2RX7 1026/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP KDM4E 1781/4885HPGD 512/4885P2RX7 2012/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1931/4885HPGD 731/4885P2RX7 1273/4885

“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.