SCHEMBL973674

SCHEMBL973674

[c]1cc(-c2cccnc2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2E1 P05181 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP19A1 P11511 3/20 0.44
METAP2 P50579 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 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
SCHEMBL13907273 0.70 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL29360677 0.70 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL24534338 0.70 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL29419014 0.70 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL30473120 0.70 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL120088 0.70 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL255921 0.69 CYP2A6 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL30437385 0.69 CYP2A6 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL7611926 0.69 CYP2A6 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2CYP2E1
SCHEMBL8935802 0.68 CYP2A6 (0.69) CYP2A6ALDH1A1CYP3A4CYP1A2METAP2

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO claimed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds BASF SE (DE) 2011-02-17 US disclosed
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 US disclosed
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-7645757-B2 Derivatives of heteroaryl-alkylcarbamates, methods for their preparation and use thereof as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2010-01-12 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 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-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds TPMT, NQO2, TST CYP2A6 637/4885ALDH1A1 1071/4885CYP3A4 484/4885
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA CYP2A6 278/4885ALDH1A1 2768/4885CYP3A4 1277/4885
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP2A6 220/4885ALDH1A1 802/4885CYP3A4 536/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP2A6 220/4885ALDH1A1 802/4885CYP3A4 536/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 CYP2A6 220/4885ALDH1A1 1002/4885CYP3A4 834/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 CYP2A6 1607/4885ALDH1A1 1070/4885CYP3A4 402/4885

“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.