Sugi Predict

Sugi Predict / Compounds / SCHEMBL904701

SCHEMBL904701

SCHEMBL904701

Cn1nnc2cc(CN)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.50
▸ KEAP1 Q14145 3/20 0.48
▸ SLC9A1 P19634 1/20 0.48
▸ HPGD P15428 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL23064161 0.98 HCAR3 (0.49) HCAR3KEAP1SLC9A1HPGDKDM4E
Hydrochloric Acid SCHEMBL27205663 0.98 HCAR3 (0.49) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL22862868 0.86 KEAP1 (0.48) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL10287998 0.84 HCAR3 (0.51) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL1939333 0.82 HCAR3 (0.54) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL3330921 0.82 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL478164 0.82 HCAR3 (0.50) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL5014497 0.81 HCAR3 (0.46) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL13862926 0.81 HPGD (0.49) HCAR3KEAP1SLC9A1HPGDKDM4E
SCHEMBL13026783 0.79 HCAR3 (0.47) HCAR3KEAP1SLC9A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788039-B1 FACTOR XIIA INHIBITORS UNIV LEEDS INNOVATIONS LTD (GB) 2026-02-11 — — EP disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 — — US disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 — — US disclosed
WO-2022248883-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2022-12-01 — — WO disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 — — US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 — — US disclosed
US-20210087172-A1 FACTOR XIIa INHIBITORS UNIVERSITY OF LEEDS (GB) 2021-03-25 — — US disclosed
US-20210087172-A1 FACTOR XIIa INHIBITORS UNIVERSITY OF LEEDS (GB) 2021-03-25 — — US disclosed
EP-3788039-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-03-10 — — EP disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 — — EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 — — US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 — — EP disclosed
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 — — US disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 — — US disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 — — US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 — — WO disclosed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 — — US disclosed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 — — US disclosed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 — — EP disclosed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 — — 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 (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-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HCAR3 2011/4885KEAP1 778/4885SLC9A1 4790/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCAR3 68/4885KEAP1 853/4885SLC9A1 2360/4885
US-20210087172-A1 FACTOR XIIa INHIBITORS F11, F13B, F12 HCAR3 3157/4885KEAP1 1742/4885SLC9A1 994/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 HCAR3 2731/4885KEAP1 2309/4885SLC9A1 1924/4885
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 HCAR3 270/4885KEAP1 3017/4885SLC9A1 95/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HCAR3 2620/4885KEAP1 1515/4885SLC9A1 1594/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HCAR3 2620/4885KEAP1 1515/4885SLC9A1 1594/4885

“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.