SCHEMBL4094165

SCHEMBL4094165

O=c1nc(-c2ccc(Cl)cc2)c2ccccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.76
HSD17B10 Q99714 2/20 0.76
ALDH1A1 P00352 2/20 0.76
HPGD P15428 2/20 0.76
TSHR P16473 1/20 0.76
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
CASP1 P29466 1/20 0.68
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PDE10A Q9Y233 1/20 0.53
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
TNKS O95271 1/20 0.48
GUSB P08236 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL8621648 0.92 KDM4E (0.89) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL17367227 0.87 KDM4E (0.93) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL4142958 0.86 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDTSHR
Lithium SCHEMBL30669498 0.85 KDM4E (0.96) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL6329236 0.84 KDM4E (0.76) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL28022669 0.82 HSD17B10 (0.78) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL6871615 0.81 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL29130443 0.81 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL7702065 0.80 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDTSHR
Urea SCHEMBL15312604 0.79 KDM4E (0.84) KDM4EHSD17B10ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound IDEMITSU KOSAN CO., LTD. (JP) 2018-07-24 US disclosed
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound IDEMITSU KOSAN CO., LTD. (JP) 2018-07-24 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 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
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 KDM4E 2220/4885HSD17B10 3231/4885ALDH1A1 66/4885
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R KDM4E 3078/4885HSD17B10 546/4885ALDH1A1 1058/4885
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound LEF1, L1CAM, OLA1 KDM4E 2220/4885HSD17B10 3231/4885ALDH1A1 66/4885

“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.