SCHEMBL7468419

SCHEMBL7468419

CCCNCc1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.67
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
ATM Q13315 1/20 0.47
EPHX2 P34913 3/20 0.46
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43

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
Hydrochloric Acid SCHEMBL31169750 0.98 CHRM2 (0.65) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL6625017 0.89 CHRM2 (0.73) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL1642902 0.87 CHRM2 (0.77) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL10338545 0.87 CHRM2 (0.77) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL29256190 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL29256194 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL30924842 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL11191131 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL30924843 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A
SCHEMBL16295729 0.85 CHRM2 (0.80) CHRM2CYP1A2CYP2D6TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-19 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
US-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLO (US) 2014-10-30 US disclosed
US-20130302401-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-14 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-0873331-B1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LTD (GB) 2002-04-03 EP disclosed
US-5773467-A Benzofuran sulphonanmides CHIROSCIENCE, LTD. (GB) 1998-06-30 US disclosed
US-4404018-A Furfuryl amides of phenoxyphenoxyalkanoic acids and herbicidal use VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 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-20140322309-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF AAAS, AADAT, INMT CHRM2 2082/4885CYP1A2 3841/4885CYP2D6 3765/4885
US-20160137785-A1 POLY(BETA-AMINO ALCOHOLS), THEIR PREPARATION, AND USES THEREOF PDGFA, MIF, FIBP CHRM2 1806/4885CYP1A2 4142/4885CYP2D6 4616/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 CHRM2 4134/4885CYP1A2 577/4885CYP2D6 991/4885

“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.