SCHEMBL2764191

SCHEMBL2764191

O=C(CN1CCOCC1)Nc1ccc2c3c([nH]c(=O)c2c1)-c1ccccc1C3

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.81
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 6/20 0.48
TERT O14746 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL27736227 0.80 PARP1 (0.90) PARP1LMNATERTHTTHPGD
SCHEMBL8271792 0.80 PARP1 (1.00) PARP1LMNATERTHTTHPGD
SCHEMBL4657767 0.79 PARP1 (0.81) PARP1LMNASMN1; SMN2TERTGAA
SCHEMBL14028586 0.79 PARP1 (0.58) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8290025 0.78 PARP1 (0.64) PARP1TERT
SCHEMBL6690254 0.76 PARP1 (0.65) PARP1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL5996699 0.76 PARP1 (1.00) PARP1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL2764280 0.76 PARP1 (0.80) PARP1
SCHEMBL7095976 0.75 CHEK1 (0.55) PARP1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9629545 0.73 SMN1; SMN2 (0.65) PARP1LMNASMN1; SMN2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
EP-2174659-A1 Substituted indeno[1,2-c]isoquinoline derivatives and uses thereof Inotek Pharmaceuticals Corporation (US) 2010-04-14 EP disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 US disclosed
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-09-11 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-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 PARP1 337/4885LMNA 1572/4885SMN1; SMN2 3009/4885

“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.