SCHEMBL127792

SCHEMBL127792

Fc1ccc2nc(CBr)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
CCR1 P32246 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
PDE10A Q9Y233 6/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
MAPT P10636 2/20 0.38
TLR2 O60603 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.36
CYP3A4 P08684 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL1193428 0.86 CCR1 (0.48) BACE1CCR1HDAC1HDAC2PDE10A
SCHEMBL27754053 0.85 BACE1 (0.50) BACE1HDAC1HDAC2PDE10ACYP1A2
SCHEMBL2567212 0.81 BACE1 (0.53) BACE1CCR1HDAC1HDAC2PDE10A
SCHEMBL7838005 0.81 BACE1 (0.53) BACE1HDAC1HDAC2PDE10ACYP1A2
SCHEMBL1420330 0.81 BACE1 (0.53) BACE1HDAC1HDAC2PDE10ACYP1A2
SCHEMBL12209404 0.81 BACE1 (0.53) BACE1HDAC1HDAC2PDE10ACYP1A2
SCHEMBL25519684 0.79 PDE10A (0.50) BACE1HDAC1HDAC2PDE10APDE4A
SCHEMBL2322461 0.78 BACE1 (0.55) BACE1CCR1HDAC1HDAC2CYP1A2
SCHEMBL11872340 0.78 CCR1 (0.48) BACE1CCR1HDAC1HDAC2CYP1A2
SCHEMBL4061337 0.78 CCR1 (0.48) CCR1PDE10AKMT2ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9682972-B2 1,2,5-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9265770-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS CHAI WENYING (US) 2016-02-18 US disclosed
US-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 US disclosed
US-9067917-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 US disclosed
US-5668146-A ANTIINFLAMMATORY AGENTS OR ANTIALLERGENS ABBOTT LABORATORIES (US) 1997-09-16 US disclosed
WO-1997012866-A1 BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed
WO-1997012865-A1 SYMMETRICAL BISHETEROARYL-METHOXYPHENYL-IMINOXYALKYL-CARBOXYLATES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 EP disclosed
WO-1994000446-A1 FLUORINATED QUINOLINE INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed
US-5252585-A Fluorinated quinoline indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 US disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 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 (4 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-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 BACE1 3063/4885CCR1 311/4885HDAC1 159/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 BACE1 668/4885CCR1 1194/4885HDAC1 576/4885
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 BACE1 3063/4885CCR1 311/4885HDAC1 159/4885
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 BACE1 3063/4885CCR1 311/4885HDAC1 159/4885

“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.