SCHEMBL14023749

SCHEMBL14023749

O=[N+]([O-])c1ccc2c3ccccc3c3nc(-c4c[nH]c5ccccc45)[nH]c3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
PKM P14618 1/20 0.48
PKLR P30613 1/20 0.48
BCL2 P10415 2/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL17366638 0.98 ELANE (0.54) ELANEPKMPKLRBCL2FGFR1
SCHEMBL14023517 0.96 ELANE (0.54) ELANEPKMPKLRBCL2FGFR1
SCHEMBL14023519 0.92 ELANE (0.50) ELANEPKMPKLRBCL2FGFR1
SCHEMBL14023503 0.90 PTGES (0.45) ELANEPKMPKLRGABRPGABRD
SCHEMBL14023512 0.86 PTGES (0.45) ELANEPKMPKLRGABRPGABRD
SCHEMBL14023740 0.85 CDC7 (0.45) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL17366637 0.84 AMY1A (0.44) ELANECLK1NPBWR1MAPTPTGES
SCHEMBL14220601 0.82 CLK1 (0.44) ELANEPKMPKLRGABRPGABRD
SCHEMBL14023531 0.82 AMY1A (0.44) ELANECLK1MAPTPTGESCDK5
SCHEMBL12561669 0.82 ALDH1A1 (0.59) FGFR1FGFR2CLK1MAPTTDO2

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
EP-1692113-B1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC (CA) 2017-09-27 EP disclosed
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 US disclosed
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 US disclosed
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 US disclosed
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 US disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 US disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 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-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 ELANE 4003/4885PKM 3705/4885PKLR 3235/4885
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS AHR, CBR3, AADAC ELANE 4054/4885PKM 3642/4885PKLR 2927/4885
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 ELANE 4003/4885PKM 3705/4885PKLR 3235/4885

“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.