SCHEMBL646938

SCHEMBL646938

COC(=O)c1cccc(C#N)c1CBr

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CFTR P13569 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL29041518 0.84 LMNA (0.52) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL7244872 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL31287979 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4825804 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL31305185 0.79 HPGD (0.40) ALDH1A1KDM4EHSD17B10HPGDCRHBP
SCHEMBL181067 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL5839700 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL17424944 0.78 LMNA (0.59) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL14050225 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL646271 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10TSHRHPGD

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
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
CN-101674832-A Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORP 2010-03-17 CN disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-7381722-B2 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-06-03 US disclosed
EP-1855676-A4 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-05-21 EP disclosed
CN-101137377-A Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORP (US) 2008-03-05 CN disclosed
EP-1855676-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-11-21 EP disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
WO-2006093667-A1 TETRACYCLIC AMINO AND CARBOXAMIDO COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 WO disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 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 (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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS ALDH1A1 137/4885KDM4E 2660/4885HSD17B10 972/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885KDM4E 2660/4885HSD17B10 972/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 ALDH1A1 46/4885KDM4E 3177/4885HSD17B10 2747/4885
US-20060287312-A1 Tetracyclic amino and carboxamido compounds and methods of use thereof GLS, AADAT, IAPP ALDH1A1 2237/4885KDM4E 3097/4885HSD17B10 4490/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S ALDH1A1 921/4885KDM4E 3264/4885HSD17B10 979/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885KDM4E 2660/4885HSD17B10 972/4885

“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.