SCHEMBL378107

SCHEMBL378107

[O]CCCCN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.65
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 2/20 0.42
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL9077 0.97 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5256004 0.97 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL2092461 0.97 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL4490456 0.97 HRH3 (0.70) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5857530 0.95 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1649755 0.95 HRH3 (0.75) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL25335245 0.94
SCHEMBL9128 0.92
SCHEMBL9399 0.89 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1098239 0.89 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198756-A1 QUINOLINE COMPOUNDS FOR INCREASING INSULINE RELEASE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-11-23 WO claimed
EP-3246028-A1 QUINOLINE COMPOUNDS FOR INCREASING INSULINE RELEASE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-11-22 EP claimed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US claimed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US claimed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO claimed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US claimed
WO-2003053960-A2 QUINLINE DERIVATES AND THEIR USE AS MEK INHIBITORS ASTRAZENECA AB (SE) 2003-07-03 WO claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO claimed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed

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-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 HRH3 2586/4885MAPT 1238/4885CYP1A2 4765/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 HRH3 169/4885MAPT 3387/4885CYP1A2 546/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH3 1540/4885MAPT 2027/4885CYP1A2 3585/4885

“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.