SCHEMBL4015315

SCHEMBL4015315

c1cnc2ccccc2ncccnc2ccccc2nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
KDM4E B2RXH2 4/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
NCF1 P14598 1/20 0.48
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7540227 0.96 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPOLBLMNA
Iodide SCHEMBL10806172 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL29355228 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL30320908 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL30099834 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL5315 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL6928518 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL8194 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL4000710 0.89 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPOLBLMNA
Quinoxaline SCHEMBL2431603 0.89 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPOLBLMNA

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-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US disclosed
EP-1263856-B1 STABILIZER COMPOSITION BASF SE (DE) 2009-06-24 EP disclosed
US-6908956-B2 Stabilizer composition BASF AKTIENGESELLSCHAFT (DE) 2005-06-21 US disclosed
US-20050090703-A1 Continuous recovery of styrene from a styrene-containing mixture BASF AKTIENGESELLSCHAFT (DE) 2005-04-28 US disclosed
US-6835288-B1 Distillation; electron spin resonance; comprises 1-oxyl-2,2,6,6-tetramethylpiperidine as stabilizer BASF AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
EP-1185489-B1 METHOD FOR PREVENTING UNDESIRED POLYMERISATION IN A MIXTURE OF SUBSTANCES CONTAINING ETHYLENICALLY UNSATURATED COMPOUNDS BASF AG (DE) 2004-03-10 EP disclosed
US-20040019247-A1 Continuous recovery of styrene from a styrene-containing mixture BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 US disclosed
EP-1154974-B1 METHOD FOR THE CONTINUOUS RECOVERY OF STYRENE FROM A MIXTURE CONTAINING SAME BASF AG (DE) 2003-09-10 EP disclosed
US-20030060544-A1 Stabilizer composition BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
US-6200460-B1 MIXTURE COMPRISING VINYL AROMATIC COMPOUND, ACTIVE AMOUNT OF MIXTURE WHICH INHIBITS THE PREMATURE POLYMERIZATION OF SAID COMPOUND COMPRISING NOXYL COMPOUND, IRON COMPOUND, OPTIONALLY NITRO COMPOUNDS AND COSTABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0162804-A1 Substituted dibenzotetraaza-[14]-annulene metal complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1985-11-27 EP disclosed
EP-0108181-A1 Dibenzo(b,i)-1,4,8,11-tetraaza(14)annulenocobalt(III) iodide CIBA-GEIGY AG (CH) 1984-05-16 EP 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 (2 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-20040019247-A1 Continuous recovery of styrene from a styrene-containing mixture SORD, NEFM, DOHH ALDH1A1 1014/4885KDM4E 4378/4885MAPT 466/4885
US-20050090703-A1 Continuous recovery of styrene from a styrene-containing mixture SORD, NEFM, DOHH ALDH1A1 1014/4885KDM4E 4378/4885MAPT 466/4885

“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.