SCHEMBL893903

SCHEMBL893903

[CH2]c1ccccc1-c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
LMNA P02545 3/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
METAP1 P53582 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
DOHH Q9BU89 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
NPC1 O15118 5/20 0.48
TP53 P04637 4/20 0.48
RAB9A P51151 4/20 0.48
ALOX15 P16050 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 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
SCHEMBL2492102 0.87 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.83 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29723140 0.80 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22881677 0.80 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853975 0.80 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853986 0.80 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27924279 0.78 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL29983197 0.78 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27940432 0.78 KDM4E (0.82) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1177593 0.76 BRD4 (0.37) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP claimed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 WO claimed
US-20230106519-A1 GOLD(III)-BIGUANIDE PRODRUGS, METHODS OF PREPARATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-04-06 US disclosed
WO-2021194420-A1 GOLD(III)-BIGUANIDE PRODRUGS, METHODS OF PREPARATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-30 WO disclosed
EP-3110794-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-01-04 EP disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO disclosed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 WO disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2007101884-A1 NOVEL USE OF ANTIHISTAMINE AGENTS FOR THE PREVENTIVE OR EARLY TREATMENT OF INFLAMMATORY SYNDROMES, IN PARTICULAR THOSE TRIGGERED BY TOGAVIRUSES PIERRE FABRE MEDICAMENT (FR) 2007-09-13 WO disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 WO disclosed
EP-0296316-A1 1,4-Dihydropyridine enantiomers Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1988-12-28 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 (5 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-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 KDM4E 442/4885LMNA 4278/4885CCR1 1211/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KDM4E 761/4885LMNA 3793/4885CCR1 4809/4885
US-20230106519-A1 GOLD(III)-BIGUANIDE PRODRUGS, METHODS OF PREPARATION AND USES THEREOF GCG, IDH1, DPP3 KDM4E 689/4885LMNA 2937/4885CCR1 4353/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR KDM4E 1242/4885LMNA 3931/4885CCR1 2625/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR KDM4E 1242/4885LMNA 3931/4885CCR1 2625/4885

“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.