SCHEMBL121572

SCHEMBL121572

O=C(O)c1ccc2nc(-c3ccccc3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
NFKB1 P19838 5/20 1.00
NFKB2 Q00653 5/20 1.00
RELA Q04206 5/20 1.00
LMNA P02545 2/20 1.00
RAB9A P51151 8/20 0.76
HPGD P15428 7/20 0.76
ALDH1A1 P00352 7/20 0.76
NPC1 O15118 7/20 0.76
POLB P06746 6/20 0.76
GAA P10253 5/20 0.76
MAPT P10636 5/20 0.76
TDP1 Q9NUW8 2/20 0.76
MITF O75030 1/20 0.76
RECQL P46063 1/20 0.76
GFER P55789 1/20 0.76
PAX8 Q06710 1/20 0.76
KLF5 Q13887 1/20 0.76
PKM P14618 5/20 0.62

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
SCHEMBL9797268 0.93 KDM4E (0.88) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL16142074 0.92 KDM4E (0.85) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL16139782 0.90 KDM4E (0.81) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL121577 0.89 KDM4E (0.81) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL11887840 0.88 KDM4E (0.78) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1744060 0.87 SMN1; SMN2 (0.77) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8531346 0.86 KDM4E (1.00) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL12596886 0.86 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6840182 0.86 KDM4E (0.74) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL17801688 0.86 KDM4E (0.74) KDM4ESMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 CN disclosed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-0119192-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1984-09-26 EP disclosed
WO-1984001160-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 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 (3 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG KDM4E 2009/4885SMN1; SMN2 1928/4885NFKB1 3238/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG KDM4E 2009/4885SMN1; SMN2 1928/4885NFKB1 3238/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 KDM4E 2352/4885SMN1; SMN2 2474/4885NFKB1 3662/4885

“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.