Sugi Predict

Sugi Predict / Compounds / SCHEMBL12378216

SCHEMBL12378216

SCHEMBL12378216

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(O)cc1)C2)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ METAP2 P50579 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL5650719 0.94 MAPT (0.38) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL12378079 0.94 DHPS (0.39) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL29390607 0.93 KDM4E (0.39) COMTKDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL4652222 0.93 KDM4E (0.39) COMTKDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL4752157 0.93 CTSB (0.40) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL4689848 0.91 COMT (0.38) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL4693347 0.90 COMT (0.38) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL14265282 0.90 COMT (0.33) COMTKDM4EL3MBTL1SMN1; SMN2USP2
SCHEMBL14573665 0.89 ALDH1A1 (0.41) KDM4EL3MBTL1SMN1; SMN2USP2MAPT
SCHEMBL4692403 0.89 COMT (0.39) COMTKDM4EL3MBTL1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS COMT 719/4885KDM4E 1971/4885L3MBTL1 220/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI COMT 853/4885KDM4E 960/4885L3MBTL1 628/4885

“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.