Sugi Predict

Sugi Predict / Compounds / SCHEMBL291352

SCHEMBL291352

SCHEMBL291352

C[CH]c1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 9/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MPO P05164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GOT1 P17174 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ ACOX1 Q15067 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL30827215 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL8152019 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6008542 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL5436460 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL224748 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL7547757 0.77 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL4254166 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL4254162 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL276918 0.72 LMNA (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL291004 0.72 LMNA (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 — — EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 — — EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 — — US disclosed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 — — EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 — — EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 — — EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 — — EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 — — US disclosed
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase FUJI MASAHIRO 2006-12-28 — — US disclosed
US-7148237-B2 Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2006-12-12 — — US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 — — US disclosed
EP-1698628-A1 HYDROXYPYRIMIDINONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-09-06 — — EP disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 — — US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 — — EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 — — US disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 — — US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 — — EP 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 (7 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT NPC1 1838/4885RAB9A 2373/4885SMN1; SMN2 3953/4885
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase ZC3HAV1, INTS9, PRDM9 NPC1 1267/4885RAB9A 254/4885SMN1; SMN2 3884/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 NPC1 998/4885RAB9A 1222/4885SMN1; SMN2 4107/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 NPC1 1036/4885RAB9A 1225/4885SMN1; SMN2 4102/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT NPC1 1005/4885RAB9A 1215/4885SMN1; SMN2 3801/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885SMN1; SMN2 3746/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885SMN1; SMN2 3746/4885

“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.

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