SCHEMBL841700

SCHEMBL841700

Cc1ccc([N+](C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
TDP1 Q9NUW8 1/20 0.53
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 4/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP2A6 P11509 2/20 0.35
IDO1 P14902 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
Bromide SCHEMBL8612056 0.97 ACHE (0.50) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL1508422 0.97 ACHE (0.50) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
Water SCHEMBL11594553 0.97 ACHE (0.50) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
Iodide SCHEMBL8506434 0.97 APOBEC3A (0.55) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL27385711 0.97 ACHE (0.50) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL13548402 0.91 ACHE (0.44) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL2489383 0.86 APOBEC3A (0.62) ACHEAPOBEC3AAPOBEC3GCA9
Hydrochloric Acid SCHEMBL6368015 0.82 APOBEC3A (0.59) ACHETDP1APOBEC3AAPOBEC3GALDH1A1
Iodide SCHEMBL6373433 0.82 APOBEC3A (0.69) ACHEAPOBEC3AAPOBEC3GCA9
SCHEMBL11129103 0.81 ACHE (0.47) ACHETDP1ALDH1A1CA2CA1

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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047692-B1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS UAB RESEARCH FOUNDATION (US) 2004-07-21 EP claimed
US-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE BROUILLETTE WAYNE J (US) 2004-04-01 US claimed
US-6673827-B1 Methods of treating fungal infections with inhibitors of NAD synthetase enzyme THE UAB RESEARCH FOUNDATION 2004-01-06 US claimed
JP-2002509149-A 2002-03-26 JP claimed
EP-1109805-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE The UAB Research Foundation (US) 2001-06-27 EP claimed
EP-1047692-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS THE UAB RESEARCH FOUNDATION (US) 2000-11-02 EP claimed
WO-2000010996-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE THE UAB RESEARCH FOUNDATION (US) 2000-03-02 WO claimed
WO-1999036422-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF, AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME THE UAB RESEARCH FOUNDATION (US) 1999-07-22 WO claimed
US-20230183489-A1 COLORING COMPOSITION, INK JET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND COLORING AGENT COMPOUND FUJIFILM CORPORATION (JP) 2023-06-15 US disclosed
US-9889102-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2018-02-13 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9528017-B2 Inkjet ink and inkjet recording device RICOH COMPANY, LTD. (JP) 2016-12-27 US disclosed
CN-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 CN disclosed
US-20150252204-A1 BLACK INK FOR INKJET RECORDING, INK CARTRIDGE, AND INKJET RECORDING DEVICE RICOH COMPANY, LTD. (JP) 2015-09-10 US disclosed
WO-2001000197-A2 METHODS OF TREATING FUNGAL INFECTIONS WITH INHIBITORS OF NAD SYNTHETASE ENZYME THE UAB RESEARCH FOUNDATION (US) 2001-01-04 WO disclosed
WO-2000010996-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE THE UAB RESEARCH FOUNDATION (US) 2000-03-02 WO disclosed
EP-0385778-B1 Fuel oil compositions EXXON CHEMICAL PATENTS INC (US) 1996-12-11 EP disclosed
US-5348561-A Quaternary ammonium stabilizers to prevent sedimentation and color formation during storage EXXON CHEMICAL PATENTS INC. (US) 1994-09-20 US disclosed
EP-0385778-A1 Fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-09-05 EP disclosed
US-4394315-A HYPOHALITE OXIDATION OF HYDROQUINONES, QUATERNARY AMMONIUM PHASE TRANSFER CATALYST KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-07-19 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-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE COASY, NADK, NQO1 ACHE 2884/4885TDP1 1719/4885APOBEC3A 1643/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ACHE 4738/4885TDP1 4837/4885APOBEC3A 4870/4885

“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.