SCHEMBL17274355

SCHEMBL17274355

S=C=NCCCCCCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 1.00
MIF P14174 5/20 1.00
TRPA1 O75762 2/20 0.71
CYP2E1 P05181 1/20 0.71
CYP2A6 P11509 1/20 0.71
HIF1A Q16665 1/20 0.71
CYP2A13 Q16696 1/20 0.71
EPAS1 Q99814 1/20 0.71
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KEAP1 Q14145 6/20 0.57
NFE2L2 Q16236 6/20 0.57
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL17274428 1.00 NAAA (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL17274357 1.00 NAAA (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL9493211 1.00 NAAA (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL17274466 1.00 NAAA (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
Phenylhexyl Isothiocyanate SCHEMBL7809 1.00 NAAA (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
Phenylbutyl Isothiocyanate SCHEMBL1526828 0.98 MIF (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL1457110 0.92 MIF (1.00) NAAAMIFTRPA1CYP2E1CYP2A6
Phenylhexyl Isothiocyanate SCHEMBL17835311 0.90 NAAA (0.81) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL29126166 0.90 MIF (0.81) NAAAMIFTRPA1CYP2E1CYP2A6
SCHEMBL330501 0.88 MIF (0.81) NAAAMIFTRPA1CYP2E1CYP2A6

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-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
US-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 US disclosed
US-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 US disclosed
US-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
EP-3145505-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF Northeastern University (US) 2017-03-29 EP disclosed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO disclosed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 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 (3 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-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NAALAD2 NAAA 1/4885MIF 3935/4885TRPA1 2207/4885
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NAAA, NAT1, NAALAD2 NAAA 1/4885MIF 3935/4885TRPA1 2207/4885
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NIT2 NAAA 1/4885MIF 4260/4885TRPA1 2596/4885

“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.