SCHEMBL589200

SCHEMBL589200

OCCc1ccc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CHEK1 O14757 1/20 0.38
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL3455233 0.83 SMN1; SMN2 (0.40) PYCR1ALDH1A1SMN1; SMN2MAPK1CHEK1
SCHEMBL307760 0.83 PYCR1 (0.46) PYCR1ALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL30467771 0.83 PYCR1 (0.46) PYCR1ALDH1A1SMN1; SMN2MAPK1RECQL
Ammonia Solution, Strong SCHEMBL23833320 0.81 PYCR1 (0.45) PYCR1ALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL27519718 0.81 PYCR1 (0.45) PYCR1ALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL6542411 0.80 CHEK1 (0.41) ALDH1A1SMN1; SMN2MAPK1CHEK1TSHR
SCHEMBL589038 0.79 PYCR1 (0.44) PYCR1ALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL1569794 0.79 TAAR1 (0.52) PYCR1CHEK1HTR2A
SCHEMBL32689207 0.79 TAAR1 (0.52) PYCR1CHEK1HTR2A
SCHEMBL11452260 0.79 PYCR1 (0.51) PYCR1ALDH1A1MAPK1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO disclosed
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
CN-101389613-A Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO (US) 2009-03-18 CN disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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 (1 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-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 PYCR1 4625/4885ALDH1A1 4184/4885SMN1; SMN2 3845/4885

“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.