SCHEMBL8097178

SCHEMBL8097178

O=C(Cl)C1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC4 P56524 3/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 6/20 0.42
AKR1C1 Q04828 1/20 0.41
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPT P10636 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL28915895 0.96 HDAC4 (0.50) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL4804303 0.94 HDAC1 (0.51) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL29473164 0.92 HDAC1 (0.42) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL9966550 0.84 HDAC1 (0.53) HDAC1ALDH1A1HDAC3HDAC7HDAC2
SCHEMBL1492737 0.82 AKR1C1 (0.62) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL3443425 0.82 HDAC4 (0.61) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL12981104 0.81 HDAC1 (0.47) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL29275065 0.81 HSD11B1 (0.47) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL237773 0.81 LMNA (0.49) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1
SCHEMBL4770404 0.80 HDAC1 (0.53) HDAC1HDAC4ALDH1A1HSD11B1AKR1C1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 US disclosed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 US disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
WO-2013116182-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S HDAC1 1448/4885HDAC4 3139/4885ALDH1A1 681/4885
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 HDAC1 1895/4885HDAC4 3805/4885ALDH1A1 659/4885

“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.