SCHEMBL2301042

SCHEMBL2301042

O=C(O)c1ccc(N2CCCCC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.59
AVPR2 P30518 3/20 0.55
MYC P01106 1/20 0.55
NR4A1 P22736 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
GFER P55789 1/20 0.50
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SERPINE1 P05121 2/20 0.49
LMNA P02545 3/20 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
SCHEMBL3119554 0.98 IP6K1 (0.61) IP6K1AVPR2MYCNR4A1MEN1
SCHEMBL15923351 0.95 MYC (0.57) IP6K1AVPR2MYCNR4A1MEN1
SCHEMBL5063205 0.85 AVPR2 (0.54) IP6K1AVPR2MEN1KMT2AATM
SCHEMBL15123245 0.85 IP6K1 (0.66) IP6K1MEN1KMT2AMRGPRX4ALDH1A1
SCHEMBL2088694 0.84 ACLY (0.57) MYCNR4A1MEN1KMT2AMAPT
SCHEMBL14080465 0.84 ADRB1 (0.63) IP6K1MYCNR4A1ALDH1A1SMN1; SMN2
SCHEMBL15923279 0.84 RAB9A (0.56) IP6K1AVPR2MYCNR4A1ALDH1A1
SCHEMBL3823637 0.83 KDM4E (0.58) IP6K1AVPR2MYCNR4A1MRGPRX4
Hydrochloric Acid SCHEMBL4890076 0.83 ACLY (0.56) MYCNR4A1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15929282 0.83 ADRB1 (0.61) IP6K1MYCNR4A1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 US disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 US disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 US disclosed
US-9946847-B2 Libraries of compounds having desired properties and methods for making and using them BIOBLOCKS INC. (US) 2018-04-17 US disclosed
US-9946847-B2 Libraries of compounds having desired properties and methods for making and using them BIOBLOCKS INC. (US) 2018-04-17 US disclosed
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 US disclosed
US-9815857-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-9598443-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2015-12-17 US disclosed
US-20150269356-A1 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS INC (US) 2015-09-24 US disclosed
US-20150269356-A1 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS INC (US) 2015-09-24 US disclosed
WO-2014121124-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 WO disclosed
WO-2014047463-A2 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2014-03-27 WO disclosed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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 (8 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 IP6K1 2871/4885AVPR2 431/4885MYC 4154/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 IP6K1 416/4885AVPR2 2841/4885MYC 2629/4885
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885
US-20150361104-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP IP6K1 1907/4885AVPR2 4212/4885MYC 2241/4885

“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.