SCHEMBL1807370

SCHEMBL1807370

COC(=O)c1cccnc1I

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MAP2K1 Q02750 1/20 0.53
KDM4E B2RXH2 5/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL812065 0.81 KDM4E (0.59) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL6032802 0.81 TSHR (0.59) KDM4EPOLBL3MBTL1ALDH1A1TSHR
SCHEMBL30863406 0.80 KDM4E (0.63) TDP1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2902900 0.80 KDM4E (0.63) TDP1KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL162558 0.79 TDP1 (0.57) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL69990 0.79 L3MBTL1 (0.62) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL31185958 0.79 KDM4E (0.57) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL107721 0.79 KDM4E (0.57) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL1248162 0.79 P2RX7 (0.66) TDP1MAP2K1KDM4EPOLBL3MBTL1
SCHEMBL29416324 0.79 L3MBTL1 (0.62) TDP1MAP2K1KDM4EPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
CN-109456326-A Organic electroluminescence device, the triarylamine derivative of carbonyl bridging and its application 苏州大学 2019-03-12 CN disclosed
US-9617291-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-04-11 US disclosed
US-9617291-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-04-11 US disclosed
CN-102686587-B Azaindole glucokinase activators HOFFMANN LA ROCHE 2015-05-27 CN disclosed
EP-2501703-B1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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 (2 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-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE POLR2E, POLR2H, POLRMT TDP1 57/4885MAP2K1 2711/4885KDM4E 3247/4885
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 TDP1 3307/4885MAP2K1 3370/4885KDM4E 4778/4885

“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.