SCHEMBL4773221

SCHEMBL4773221

CCN(C(=O)O)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 5/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL4767667 0.87 KMT2A (0.42) TSHRALDH1A1KMT2AMEN1TDP1
SCHEMBL11162092 0.87 KDM4E (0.42) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL10712041 0.85 ALDH1A1 (0.40) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL4773995 0.84 TSHR (0.46) TSHRALDH1A1KMT2AMEN1TDP1
SCHEMBL10712049 0.83 L3MBTL1 (0.38) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL8751588 0.77 TSHR (0.52) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL11791894 0.76 TSHR (0.44) TSHRALDH1A1KMT2AMEN1TDP1
SCHEMBL5881190 0.75 TSHR (0.50) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL7653267 0.75 CYP3A4 (0.63) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL2560142 0.74 TSHR (0.45) TSHRALDH1A1KMT2AMEN1TDP1

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-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 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

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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP TSHR 3572/4885ALDH1A1 1205/4885GLA 623/4885

“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.