Sugi Predict

Sugi Predict / Compounds / SCHEMBL540379

SCHEMBL540379

SCHEMBL540379

Brc1ccnc2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.39
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ ACHE P22303 7/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ GRIN2A Q12879 4/20 0.34
▸ BCHE P06276 3/20 0.34
▸ SPR P35270 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32
▸ PRKCI P41743 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BPTF Q12830 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL8264767 0.96 NOS3 (0.39) GRM4NOS3NOS1NOS2HTR2A
SCHEMBL795850 0.76 GRM4 (0.40) GRM4NOS3NOS1NOS2HTR2A
SCHEMBL2087650 0.74 NOS3 (0.44) GRM4NOS3NOS1NOS2ACHE
SCHEMBL30406836 0.74 GRM4 (0.39) GRM4NOS3NOS1NOS2ACHE
SCHEMBL31005090 0.74 NOS3 (0.44) GRM4NOS3NOS1NOS2ACHE
SCHEMBL24339083 0.74 GRM4 (0.39) GRM4NOS3NOS1NOS2ACHE
SCHEMBL30406511 0.74 GRM4 (0.39) GRM4NOS3NOS1NOS2ACHE
SCHEMBL827623 0.74 GRM4 (0.39) GRM4NOS3NOS1NOS2HTR2A
SCHEMBL28217559 0.73 GRM4 (0.47) GRM4NOS3NOS1NOS2ACHE
SCHEMBL16784804 0.72 HTR2C (0.39) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 — — US disclosed
US-20210047340-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING CAPULUS THERAPEUTICS, LLC 2021-02-18 — — US disclosed
EP-3746070-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING Capulus Therapeutics, LLC (US) 2020-12-09 — — EP disclosed
WO-2019148125-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING CAPULUS THERAPEUTICS, LLC (US) 2019-08-01 — — WO disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 — — US disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 — — US disclosed
EP-2341053-B1 CEPHALOSPORIN HAVING CATECHOL GROUP SHIONOGI & CO (JP) 2016-01-13 — — EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 — — US disclosed
EP-2341053-A1 CEPHALOSPORIN HAVING CATECHOL GROUP Shionogi & Co., Ltd. (JP) 2011-07-06 — — EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 — — US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 — — US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 — — US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 — — US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 — — US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 — — WO disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — US disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 — — 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 (5 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 GRM4 4822/4885NOS3 4219/4885NOS1 4177/4885
US-20210047340-A1 SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING SREBF1, SREBF2, XBP1 GRM4 4822/4885NOS3 4219/4885NOS1 4177/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 GRM4 1478/4885NOS3 1076/4885NOS1 765/4885
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 GRM4 4664/4885NOS3 2353/4885NOS1 2019/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 GRM4 4664/4885NOS3 2353/4885NOS1 2019/4885

“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.