Sugi Predict

Sugi Predict / Compounds / SCHEMBL51724

SCHEMBL51724

SCHEMBL51724

O=C(O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCN2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ CTSF Q9UBX1 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ IDH1 O75874 3/20 0.35
▸ GLRA1 P23415 1/20 0.34
▸ F10 P00742 1/20 0.34

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
SCHEMBL52376 0.88 KDM4E (0.40) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL52029 0.88 CYP1A2 (0.40) KDM4EALDH1A1IDH1CYP1A2MAPK1
SCHEMBL51927 0.84 LMNA (0.46) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL4397474 0.78 CYP1A2 (0.41) MAOAMAOBKDM4ELMNAALDH1A1
SCHEMBL5310259 0.77 CYP1A2 (0.41) MAOAMAOBKDM4ELMNAALDH1A1
SCHEMBL4394500 0.77 TP53 (0.43) KDM4ELMNAALDH1A1TSHRMEN1
SCHEMBL4397696 0.77 ALDH1A1 (0.51) KDM4ELMNAALDH1A1TSHRHSD17B10
SCHEMBL1671403 0.77 DPP4 (0.47) KDM4ELMNAALDH1A1TSHRHSD17B10
SCHEMBL4394610 0.75 ALDH1A1 (0.39) MAOAMAOBKDM4ELMNAALDH1A1
SCHEMBL4394462 0.75 CYP1A2 (0.39) MAOAMAOBLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 — — EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 — — EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG KDM1A 748/4885MAOA 1379/4885MAOB 1256/4885

“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.