SCHEMBL2273809

SCHEMBL2273809

CC(C)c1cc[c]cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
HTR2B P41595 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL3090389 0.82 LMNA (0.32) LMNAGABRA1GABRB1FAAHCA1
SCHEMBL27373454 0.79
SCHEMBL27768746 0.79 TSHR (0.38) TSHR
SCHEMBL698305 0.78 GABRA1 (0.33) LMNAGABRA1GABRB1FAAHCA1
SCHEMBL1069220 0.77
SCHEMBL9649088 0.77 LMNA (0.33) LMNATRPV1
SCHEMBL136139 0.74 LMNA (0.31) LMNAGABRA1GABRB1FAAHCA1
SCHEMBL14742291 0.73
SCHEMBL28697549 0.73 FAAH (0.30) LMNAGABRA1GABRB1FAAHCA1
SCHEMBL16953801 0.73 GABRA1 (0.32) LMNAGABRA1GABRB1FAAHCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US claimed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP claimed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO claimed
CN-102811620-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI INC 2012-12-05 CN claimed
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
EP-3243515-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-11-15 EP disclosed
EP-2750677-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2017-03-22 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-103957913-B Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-30 CN disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
WO-2001090085-A2 6-METHYL-4-TRIHALOMETHYLTRIAZINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed
EP-1140900-A2 PYRAZOLE COMPOUNDS AND USES THEREOF PPD DISCOVERY, INC. (US) 2001-10-10 EP disclosed
WO-2000039083-A2 PYRAZOLE COMPOUNDS AND USES THEREOF PPD DISCOVERY, INC. (US) 2000-07-06 WO disclosed
CN-1052478-C Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 2000-05-17 CN disclosed
US-5747420-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-05 US disclosed
US-4110332-A PESTICIDES CHEVRON RESEARCH COMPANY (US) 1978-08-29 US disclosed
US-4098896-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1978-07-04 US disclosed
US-3931218-A HYPOGLYCEMIC ANTIRESERPINE, ANTIULCER, OGENIC, ANTIARRHYTHMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US 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-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO LMNA 3649/4885GABRA1 1978/4885GABRB1 1827/4885

“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.