SCHEMBL4097969

SCHEMBL4097969

Clc1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.71
NOD2 Q9HC29 2/20 0.71
TNF P01375 1/20 0.71
CXCL8 P10145 1/20 0.71
SOS1 Q07889 1/20 0.71
GALR3 O60755 1/20 0.71
NR2F2 P24468 1/20 0.71
RAB9A P51151 1/20 0.71
ALDH1A1 P00352 2/20 0.63
HIF1A Q16665 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.61
TBXA2R P21731 2/20 0.61
TSHR P16473 2/20 0.61
DRD2 P14416 2/20 0.61
NR1I2 O75469 1/20 0.61
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.61

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
SCHEMBL1169953 0.89 LMNA (0.70) NOD1NOD2TNFCXCL8SOS1
SCHEMBL3718063 0.87 RAB9A (0.67) NOD1NOD2TNFCXCL8SOS1
SCHEMBL8022214 0.85 LMNA (0.79) NOD1NOD2TNFCXCL8SOS1
SCHEMBL4083091 0.85 SOS1 (0.57) NOD1NOD2TNFCXCL8SOS1
SCHEMBL4083319 0.84 TP53 (0.63) NOD1NOD2TNFCXCL8SOS1
SCHEMBL13332075 0.84 ALOX5AP (0.64) NOD1NOD2TNFCXCL8SOS1
Chlormidazole SCHEMBL148113 0.83 GALR3 (1.00) NOD1NOD2TNFCXCL8SOS1
SCHEMBL8878653 0.83 NOD1 (0.68) NOD1NOD2TNFCXCL8SOS1
Chlormidazole SCHEMBL30402878 0.83 GALR3 (1.00) NOD1NOD2TNFCXCL8SOS1
SCHEMBL7337702 0.83 NOD1 (1.00) NOD1NOD2TNFCXCL8SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
WO-2013118855-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE 塩野義製薬株式会社 (JP) 2013-08-15 WO disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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 (4 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 NOD1 619/4885NOD2 368/4885TNF 4735/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 NOD1 619/4885NOD2 368/4885TNF 4735/4885
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS NOD1 3826/4885NOD2 4151/4885TNF 3981/4885
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R NOD1 1149/4885NOD2 1312/4885TNF 3632/4885

“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.