SCHEMBL4773984

SCHEMBL4773984

CCCCOC(=O)Nc1ccccc1C#N

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.66
TSHR P16473 1/20 0.64
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 3/20 0.59
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL4767657 0.92 NLRP3 (0.69) NLRP3TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL4773228 0.85 NLRP3 (0.82) NLRP3TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL29547455 0.81 SMN1; SMN2 (0.47) NLRP3TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL13506223 0.80 SMN1; SMN2 (0.68) CYP1A2CYP2C19SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7378894 0.80 SMN1; SMN2 (0.68) TSHRCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL3867996 0.80 SMN1; SMN2 (0.68) TSHRCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL31435118 0.80 NLRP3 (1.00) NLRP3TSHRL3MBTL1ALDH1A1GAA
SCHEMBL20702997 0.80 NLRP3 (1.00) NLRP3TSHRL3MBTL1ALDH1A1GAA
SCHEMBL6415965 0.79 NLRP3 (0.64) NLRP3TSHRL3MBTL1ALDH1A1GAA
SCHEMBL2323633 0.79 SMN1; SMN2 (0.63) TSHRCYP1A2CYP2C19SMN1; SMN2L3MBTL1

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 NLRP3 547/4885TSHR 3572/4885CYP1A2 2693/4885

“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.