SCHEMBL9639441

SCHEMBL9639441

O=[N+]([O-])c1cccnc1N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 1/20 0.75
LMNA P02545 1/20 0.69
MAPT P10636 3/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.57
HSD11B1 P28845 1/20 0.56
GRM5 P41594 4/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CTSB P07858 1/20 0.50

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
SCHEMBL781659 0.89 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL29577310 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL5795083 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL6708175 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
Hydrochloric Acid SCHEMBL27538332 0.84 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL14334739 0.84 MAPT (0.78) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL14334891 0.82 MAPT (0.76) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL15712190 0.82 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL135679 0.82 LMNA (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL2898307 0.82 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19LMNAMAPT

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
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 US disclosed
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 US disclosed
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 US disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 US disclosed
CN-111848591-A HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2020-10-30 CN disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 WO disclosed
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2020-08-04 US disclosed
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2020-08-04 US disclosed
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIVERSITY OF PUERTO RICO (PR) 2019-05-02 US disclosed
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIVERSITY OF PUERTO RICO (PR) 2019-05-02 US disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-0496746-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1992-08-05 EP disclosed
WO-1991006542-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1991-05-16 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 CYP1A2 1338/4885CYP2C9 1967/4885CYP2C19 2203/4885
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, ARHGDIB CYP1A2 2222/4885CYP2C9 3007/4885CYP2C19 2003/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS CYP1A2 2085/4885CYP2C9 2891/4885CYP2C19 1759/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS CYP1A2 2700/4885CYP2C9 3454/4885CYP2C19 2474/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 CYP1A2 2116/4885CYP2C9 2848/4885CYP2C19 1822/4885

“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.