SCHEMBL3463705

SCHEMBL3463705

O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 1.00
MGAM O43451 13/20 0.83
GAA P10253 13/20 0.83
SI P14410 13/20 0.83
MGAM2 Q2M2H8 13/20 0.83
GUSB P08236 4/20 0.75
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.66
GFER P55789 1/20 0.66

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
SCHEMBL1670600 0.85 MGAM (0.78) FAAHMGAMGAASIMGAM2
SCHEMBL1670602 0.85 MGAM (0.78) FAAHMGAMGAASIMGAM2
SCHEMBL4907800 0.83 MGAM (0.81) FAAHMGAMGAASIMGAM2
SCHEMBL28590182 0.82 MGAM (0.80) FAAHMGAMGAASIMGAM2
SCHEMBL28590184 0.82 MGAM (0.80) FAAHMGAMGAASIMGAM2
SCHEMBL30279589 0.82 MGAM (0.80) FAAHMGAMGAASIMGAM2
SCHEMBL8791074 0.78 FAAH (0.64) FAAHMGAMGAASIMGAM2
SCHEMBL21695177 0.78 GAA (0.64) FAAHMGAMGAASIMGAM2
SCHEMBL11607908 0.78 FAAH (0.64) FAAHMGAMGAASIMGAM2
SCHEMBL11607906 0.78 FAAH (0.64) FAAHMGAMGAASIMGAM2

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-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
WO-2002102301-A3 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2009-08-06 WO disclosed
US-20050120397-A1 Compounds and methods for regulation of spermatid differentiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
US-6747052-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-06-08 US disclosed
US-6747052-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-06-08 US disclosed
US-6747052-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-06-08 US disclosed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US disclosed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US disclosed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US disclosed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO disclosed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 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 (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-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 FAAH 588/4885MGAM 4319/4885GAA 3536/4885
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 FAAH 588/4885MGAM 4319/4885GAA 3536/4885
US-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF FPR1, FPR2, FPR3 FAAH 158/4885MGAM 3612/4885GAA 3999/4885

“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.