Sugi Predict

Sugi Predict / Compounds / SCHEMBL103416

SCHEMBL103416

SCHEMBL103416

Cn1c(CCl)nc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ CCR3 P51677 1/20 0.42
▸ TBXA2R P21731 4/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL12967208 0.85 RAB9A (0.46) PIK3CDPIK3CBGRM2NPC1RAB9A
SCHEMBL5109530 0.81 AGTR1 (0.48) RAB9ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL4159853 0.81 KMT2A (0.49) GRM2NPC1RAB9ATBXA2RALDH1A1
SCHEMBL4149016 0.81 KDM4E (0.50) NPC1RAB9AHDAC6HDAC3PTGS1
SCHEMBL9570311 0.81 NPC1 (0.47) PIK3CDPIK3CBGRM2NPC1RAB9A
SCHEMBL9597789 0.81 NPC1 (0.47) PIK3CDPIK3CBGRM2NPC1RAB9A
Bromide SCHEMBL5929370 0.80 AGTR1 (0.47) RAB9ATBXA2RALDH1A1MEN1KMT2A
SCHEMBL31569891 0.80 RAB9A (0.52) NPC1RAB9AHDAC6TBXA2RHDAC3
SCHEMBL19664446 0.80 GRM2 (0.53) GRM2MEN1KMT2APKM
SCHEMBL7745377 0.78 TSHR (0.50) TBXA2RHDAC1AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 — — EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 — — US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 — — US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 — — EP disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 — — EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 — — US disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 — — US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 — — EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 — — US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 — — US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 — — WO disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 — — US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 — — US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 — — US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 — — US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 — — EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 — — US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 — — US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 — — EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 — — 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PIK3CD 2001/4885PIK3CB 2024/4885GRM2 3/4885
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 PIK3CD 3209/4885PIK3CB 2824/4885GRM2 203/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PIK3CD 2251/4885PIK3CB 2541/4885GRM2 2/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 PIK3CD 3209/4885PIK3CB 2824/4885GRM2 203/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 PIK3CD 3209/4885PIK3CB 2824/4885GRM2 203/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 PIK3CD 3209/4885PIK3CB 2824/4885GRM2 203/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 PIK3CD 2001/4885PIK3CB 2024/4885GRM2 3/4885

“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.