Sugi Predict

Sugi Predict / Compounds / SCHEMBL291404

SCHEMBL291404

SCHEMBL291404

C[CH]c1cccc2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ GLA P06280 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PTBP1 P26599 1/20 0.55
▸ RCE1 Q9Y256 1/20 0.55
▸ MAPT P10636 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL738321 0.81 ALDH1A1 (0.55) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL2448842 0.81 LMNA (0.55) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL28369826 0.81 KDM4E (0.55) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL30044538 0.81 ALDH1A1 (0.55) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL6008038 0.81 KDM4E (0.55) ALDH1A1GAAHPGDKDM4EKMT2A
Hydrochloric Acid SCHEMBL9634743 0.80 ALDH1A1 (0.53) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL4299906 0.80 ALDH1A1 (0.70) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL7644368 0.79 PDGFRB (0.53) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL7644364 0.79 PDGFRB (0.53) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL303721 0.76 ALDH1A1 (0.46) ALDH1A1GAAHPGDKDM4EKMT2A

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 ALDH1A1 658/4885GAA 1106/4885HPGD 2278/4885
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase ZC3HAV1, INTS9, PRDM9 ALDH1A1 1943/4885GAA 2376/4885HPGD 3070/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 ALDH1A1 370/4885GAA 1519/4885HPGD 3078/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 ALDH1A1 381/4885GAA 1549/4885HPGD 3035/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT ALDH1A1 1123/4885GAA 2274/4885HPGD 1886/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885GAA 1442/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885GAA 1442/4885HPGD 2594/4885

“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.