SCHEMBL2407790

SCHEMBL2407790

[c]1cc(-c2ccc3ccccc3c2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
AR P10275 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL18317629 0.76 CYP1A2 (0.55) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL9269460 0.73 ESR2 (0.47) ALDH1A1KDM4EMAPTESR2TP53
SCHEMBL8836004 0.73 ENPP3 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL1897908 0.73 NOTUM (0.47) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL3937636 0.72 AHR (0.48) SMN1; SMN2MAPTNPC1RAB9ACYP1B1
SCHEMBL27569703 0.72 NPC1 (0.65) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL29696597 0.72 NPC1 (0.65) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL12655974 0.71 CYP1A2 (0.59) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL10051451 0.71 CYP1A2 (0.70) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL10051442 0.70 CYP1A2 (0.62) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP 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-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP1A2 352/4885SMN1; SMN2 2750/4885ALDH1A1 802/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP1A2 352/4885SMN1; SMN2 2750/4885ALDH1A1 802/4885

“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.