SCHEMBL14915780

SCHEMBL14915780

COc1cc(C)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL310970 0.93 CYP1A2 (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1898099 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4103425 0.85 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL8089043 0.85 ALDH1A1 (0.52) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL2944676 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29738113 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL2955974 0.83 ALDH1A1 (0.53) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1545835 0.83 PDK1 (0.47) ALDH1A1TDP1MAPTCYP3A4HSD17B10
SCHEMBL3647381 0.82 HTT (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL5424277 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025044897-A1 CYCLIC 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海有机化学研究所 2025-03-06 WO disclosed
CN-115715289-B Polyarylate and application thereof 江苏先声药业有限公司 2024-12-03 CN disclosed
CN-115715289-A Polyarylate and use thereof 江苏先声药业有限公司 2023-02-24 CN disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US disclosed
US-9410958-B2 Alkyne-activated fluorogenic azide compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-09 US disclosed
US-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-01 US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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 (6 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-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF ALK, DNPEP, ACR ALDH1A1 591/4885TDP1 654/4885MAPT 3582/4885
US-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 ALDH1A1 3908/4885TDP1 59/4885MAPT 4349/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B ALDH1A1 985/4885TDP1 203/4885MAPT 4811/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B ALDH1A1 1036/4885TDP1 306/4885MAPT 4849/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A ALDH1A1 352/4885TDP1 25/4885MAPT 2409/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B ALDH1A1 1005/4885TDP1 208/4885MAPT 4808/4885

“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.