SCHEMBL4771824

SCHEMBL4771824

S=C1N=CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
CES1 P23141 2/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
DAB2IP Q5VWQ8 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 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
SCHEMBL29824315 0.74 CA12 (0.42) MAOAMAOBTSHRCES1BCHE
SCHEMBL57213 0.74 CA12 (0.42) MAOAMAOBTSHRCES1BCHE
Hydrochloric Acid SCHEMBL2455497 0.72 CA12 (0.41) MAOAMAOBTSHRCES1BCHE
Hydrochloric Acid SCHEMBL7005883 0.72 CA12 (0.41) MAOAMAOBTSHRCES1BCHE
SCHEMBL3099042 0.72 CA12 (0.41) MAOAMAOBTSHRCES1BCHE
SCHEMBL7614336 0.69 MAOA (0.33) MAOAMAOBCES1BCHE
SCHEMBL7825908 0.69 MAOA (0.38) MAOAMAOBLMNASMN1; SMN2CES1
SCHEMBL10640017 0.69 ALDH1A1 (0.42) MAOALMNACES1HPGDL3MBTL1
SCHEMBL9829828 0.68 TSHR (0.43) MAOAMAOBLMNASMN1; SMN2TSHR
SCHEMBL60763 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-25 US disclosed
US-7217709-B2 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-05-15 US disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
EP-1603567-A4 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2006-10-18 EP disclosed
EP-1603567-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO disclosed
WO-2005009398-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO disclosed
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 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 (3 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-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAOA 1772/4885MAOB 1598/4885LMNA 1926/4885
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP MAOA 1862/4885MAOB 2119/4885LMNA 4269/4885
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAOA 1772/4885MAOB 1598/4885LMNA 1926/4885

“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.