SCHEMBL7481571

SCHEMBL7481571

CC(C)Oc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
CYP19A1 P11511 2/20 0.40
EP300 Q09472 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S100A4 P26447 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL29509060 1.00 PDK1 (0.47) PDK1CYP19A1EP300HIF1AALDH1A1
SCHEMBL3043316 0.87 PDK1 (0.57) PDK1CYP19A1ALDH1A1TDP1LMNA
SCHEMBL11302023 0.83 S100A4 (0.39) HIF1AALDH1A1TDP1LMNAMAPT
SCHEMBL30137606 0.83 S100A4 (0.39) HIF1AALDH1A1TDP1LMNAMAPT
SCHEMBL18582829 0.82 LRRK2 (0.42) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL18582827 0.82 LRRK2 (0.42) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL1340227 0.81 TSHR (0.56) PDK1CYP19A1ALDH1A1LMNAMAPT
SCHEMBL28870755 0.81 PDK1 (0.51) PDK1CYP19A1EP300HIF1AALDH1A1
SCHEMBL374896 0.81 ALDH1A1 (0.43) PDK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL375062 0.81 ALDH1A1 (0.43) PDK1ALDH1A1LMNAMAPTSMN1; 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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 WO disclosed
CN-119775274-A 4-Anilino substituted pyrido [3,2-d ] pyrimidine compound and application thereof 沈阳药科大学 2025-04-08 CN disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 EP disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 CN disclosed
CN-108276410-B Anaplastic lymphoma kinase inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2021-12-10 CN disclosed
WO-2014037750-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
WO-2013150036-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-10 WO disclosed
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-03 US disclosed
EP-1242374-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-09-25 EP disclosed
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 US disclosed
WO-2001040181-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-06-07 WO disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT PDK1 645/4885CYP19A1 876/4885EP300 1994/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 PDK1 600/4885CYP19A1 2395/4885EP300 1556/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 PDK1 871/4885CYP19A1 1713/4885EP300 2928/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 PDK1 600/4885CYP19A1 2395/4885EP300 1556/4885
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR PDK1 105/4885CYP19A1 988/4885EP300 3332/4885

“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.