SCHEMBL4767667

SCHEMBL4767667

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
RORC P51449 2/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4773995 0.91 TSHR (0.46) KMT2AMEN1TDP1TSHRTP53
SCHEMBL4773221 0.87 TSHR (0.44) KMT2AMEN1TDP1TSHRTP53
SCHEMBL28015754 0.86 TP53 (0.39) KMT2AMEN1TDP1TSHRRORC
SCHEMBL11791894 0.80 TSHR (0.44) KMT2AMEN1TDP1TSHRTP53
SCHEMBL11162092 0.78 KDM4E (0.42) KMT2AMEN1TDP1TSHRHPGD
SCHEMBL11466075 0.77 TP53 (0.44) KMT2ATSHRTP53GAAALDH1A1
SCHEMBL5881182 0.77 TP53 (0.42) TSHRTP53ALDH1A1
SCHEMBL20133582 0.76 TSHR (0.42) TSHRGAAALDH1A1HDAC6NPC1
SCHEMBL10712041 0.76 ALDH1A1 (0.40) KMT2AMEN1TDP1TSHRTP53
SCHEMBL29009675 0.76 TP53 (0.41) KMT2AMEN1TSHRRORCTP53

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 KMT2A 4589/4885MEN1 3063/4885TDP1 3608/4885

“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.