SCHEMBL3634352

SCHEMBL3634352

CCCCc1cnccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
SIRT3 Q9NTG7 1/20 0.49
KDM6B O15054 3/20 0.46
KDM4C Q9H3R0 3/20 0.46
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43

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
SCHEMBL27804148 0.95 TDP1 (0.47) TDP1SIRT3KDM6BKDM4CGABRP
SCHEMBL30990566 0.90 TDP1 (0.51) TDP1SIRT3KDM6BKDM4CMEN1
SCHEMBL11683254 0.85 KDM4C (0.57) TDP1KDM6BKDM4CGABRPGABRD
SCHEMBL8594489 0.84 TDP1 (0.56) TDP1SIRT3KDM6BKDM4CMEN1
SCHEMBL509800 0.84 TDP1 (0.46) TDP1SIRT3KDM6BKDM4CMEN1
SCHEMBL374104 0.83 TDP1 (0.51) TDP1SIRT3KDM6BKDM4CGABRP
SCHEMBL29923810 0.81 TDP1 (0.49) TDP1SIRT3KDM6BKDM4CMEN1
SCHEMBL5147906 0.81 TDP1 (0.49) TDP1SIRT3KDM6BKDM4CMEN1
SCHEMBL27449213 0.81 KDM4C (0.56) TDP1KDM6BKDM4CGABRPGABRD
SCHEMBL3122447 0.79 KDM4C (0.55) TDP1KDM6BKDM4CGABRPGABRD

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-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
EP-2144909-A1 [2, 6]NAPHTHYRIDINES USEFUL AS PROTEIN KINASE INHIBITORS Novartis Ag (CH) 2010-01-20 EP disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
WO-2008122615-A1 [2, 6] NAPHTHYRIDINES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-16 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I TDP1 3034/4885SIRT3 1580/4885KDM6B 4606/4885

“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.