SCHEMBL3339082

SCHEMBL3339082

Cn1cc(C(N)=O)c2c[c]ccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NR4A2 P43354 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3341266 0.87 KDM4E (0.40) KDM4ENR4A2POLBALDH1A1LMNA
SCHEMBL3482775 0.85 BRD4 (0.46) NR4A2POLBALDH1A1LMNAMITF
SCHEMBL3650821 0.81 CNR1 (0.45)
SCHEMBL3653448 0.78 CNR2 (0.47) ALDH1A1LMNAMAPTKMT2ANPSR1
SCHEMBL3837663 0.77 OPRM1 (0.30)
SCHEMBL2174829 0.76 NR4A2 (0.65) KDM4ENR4A2POLBALDH1A1LMNA
SCHEMBL2847248 0.76 ALOX5 (0.47) KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL27736804 0.74 IMPDH2 (0.34) NR4A2POLBALDH1A1LMNAMITF
SCHEMBL3843011 0.74 CNR2 (0.47)
SCHEMBL28131995 0.73 ICMT (0.47) KDM4ENR4A2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 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 (2 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 KDM4E 1548/4885NR4A2 82/4885POLB 3627/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 KDM4E 2644/4885NR4A2 91/4885POLB 4130/4885

“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.