SCHEMBL466391

SCHEMBL466391

Clc1[c]cc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NCF1 P14598 3/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3742742 0.75 CYP1A2 (0.47) ALDH1A1MAPTKMT2ABACE1CYP1A2
SCHEMBL4717309 0.73 NCF1 (0.46) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL529257 0.73 ALDH1A1 (0.42) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL269764 0.73 ALDH1A1 (0.42) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL19359 0.73 CYP1A2 (0.46) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL3743180 0.72 CYP1A2 (0.50) ALDH1A1MAPTTDP1KMT2ABACE1
SCHEMBL184538 0.70 KDM4E (0.37) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL2996550 0.70 PDE10A (0.40) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL21195879 0.68 CYP1A2 (0.42) ALDH1A1MAPTGLATDP1HPGD
SCHEMBL5747537 0.68 ALDH1A1 (0.38) ALDH1A1MAPTGLATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US claimed
US-20090111778-A1 2-Keto-Oxazoles as Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 US claimed
WO-2007140005-A2 OXAZOLYL PIPERIDINE MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 WO claimed
WO-2007061862-A2 2-KETO-OXAZOLES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 WO claimed
EP-1776361-A1 5-SUBSTITUTED 1H-PYRROLOÝ3,2-B¨PYRIDINES Altana Pharma AG (DE) 2007-04-25 EP claimed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 US claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 WO claimed
EP-1328534-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE Abbott Laboratories (US) 2003-07-23 EP claimed
CN-1418872-A 1,4-pentadiene-3-ketone compound containing halogenoindyl, and method for preparing same and medicinal use thereof INST OF CHEMISTRY HE NAN PROVI (CN) 2003-05-21 CN claimed
WO-2002032919-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE ABBOTT LABORATORIES (US) 2002-04-25 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 (6 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-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC ALDH1A1 777/4885MAPT 4798/4885GLA 1511/4885
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 ALDH1A1 1001/4885MAPT 3060/4885GLA 2211/4885
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 ALDH1A1 2424/4885MAPT 4228/4885GLA 391/4885
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, APEH ALDH1A1 635/4885MAPT 2537/4885GLA 3621/4885
US-20090111778-A1 2-Keto-Oxazoles as Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, HCRTR2 ALDH1A1 820/4885MAPT 3105/4885GLA 1991/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 502/4885MAPT 3618/4885GLA 2430/4885

“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.