SCHEMBL2149140

SCHEMBL2149140

O=C(O)c1ncccc1CCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
MAPT P10636 2/20 0.68
CYP1A2 P05177 1/20 0.68
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYC P01106 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NAPRT Q6XQN6 3/20 0.40
EGLN2 Q96KS0 1/20 0.40

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
SCHEMBL27231741 0.84 KDM4E (0.72) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL27918053 0.84 KDM4E (0.62) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL29483170 0.83 KDM4E (0.47) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
Benzene SCHEMBL11818131 0.82 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL990359 0.82 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL353589 0.82 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL10567722 0.82 KDM4E (0.60) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL8710514 0.81 KDM4E (0.68) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL131588 0.81 KDM4E (0.68) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1
SCHEMBL1060005 0.81 KDM4E (1.00) KDM4EMAPTCYP1A2ALDH1A1L3MBTL1

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
CN-108884095-B Macrocyclic ligands with picolinate groups, complexes thereof and medical uses thereof 法国加柏公司 2021-07-16 CN disclosed
US-10981912-B2 Macrocyclic ligands with picolinate group(s), complexes thereof and also medical uses thereof GUERBET (FR) 2021-04-20 US disclosed
US-10711001-B2 Macrocylic ligands with picolinate group(s), complexes thereof and also medical uses thereof GUERBET (FR) 2020-07-14 US disclosed
US-20200123155-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2020-04-23 US disclosed
US-20190023705-A1 MACROCYLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-24 US disclosed
EP-3394063-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF Guerbet (FR) 2018-10-31 EP disclosed
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
EP-2342188-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 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 (5 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-20190023705-A1 MACROCYLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF PPIG, GRPR, FKBP3 KDM4E 4169/4885MAPT 1696/4885CYP1A2 3148/4885
US-10711001-B2 Macrocylic ligands with picolinate group(s), complexes thereof and also medical uses thereof PPIG, GRPR, FKBP3 KDM4E 4169/4885MAPT 1696/4885CYP1A2 3148/4885
US-10981912-B2 Macrocyclic ligands with picolinate group(s), complexes thereof and also medical uses thereof PYGL, PPIG, PPIB KDM4E 4720/4885MAPT 2350/4885CYP1A2 658/4885
US-20200123155-A1 MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND ALSO MEDICAL USES THEREOF PYGL, PPIG, PPIB KDM4E 4720/4885MAPT 2350/4885CYP1A2 658/4885
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP KDM4E 3126/4885MAPT 257/4885CYP1A2 145/4885

“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.