Sugi Predict

Sugi Predict / Compounds / SCHEMBL4082495

SCHEMBL4082495

SCHEMBL4082495

O=C(Cl)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2D6 P10635 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ TACR1 P25103 2/20 0.46
▸ GABBR2 O75899 1/20 0.45
▸ GABBR1 Q9UBS5 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNA2D1 P54289 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ CACNB1 Q02641 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MTNR1A P48039 1/20 0.42

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
SCHEMBL3056242 0.84 GABBR2 (0.53) LMNACYP2D6SRCGABBR2GABBR1
SCHEMBL16519476 0.84 CES2 (0.46) LMNACYP2D6SRCGABBR2GABBR1
SCHEMBL10951769 0.82 GABBR2 (0.52) LMNAPOLBCYP2D6GABBR2GABBR1
SCHEMBL28325097 0.82 LMNA (0.50) LMNACYP2D6SRCGABBR2GABBR1
SCHEMBL9491712 0.82 LMNA (0.43) LMNACYP2D6SRCGABBR2GABBR1
SCHEMBL5451594 0.80 LMNA (0.46) LMNACYP2D6CACNA2D1CACNA1BCACNB1
SCHEMBL11404886 0.80 GABBR2 (0.46) CYP2D6SRCGABBR2GABBR1CYP2C19
SCHEMBL20993379 0.80 GABBR2 (0.46) CYP2D6SRCGABBR2GABBR1CYP2C19
SCHEMBL5787675 0.80 FFAR1 (0.51) POLBHPGDNPSR1CYP2C19
SCHEMBL2005344 0.80 FFAR1 (0.51) POLBHPGDNPSR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 — — US disclosed
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 — — US disclosed
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 — — US disclosed
WO-2014031755-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 — — WO disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
EP-0136736-B1 1-(4'-ALKYLTHIOPHENYL)-2-AMINO-1,3-PROPANEDIOL N-SUBSTITUTED DERIVATIVES ZAMBON S.p.A. (IT) 1987-10-28 — — EP disclosed
EP-0136737-B1 1-(4'ALKYLSULFONYLPHENYL)-2-AMINO-1,3-PROPANEDIOL N-SUBSTITUTED DERIVATIVES ZAMBON S.p.A. (IT) 1987-06-16 — — EP disclosed
US-4638003-A CALCIUM ANTAGONIST ZAMBON S.P.A. (IT) 1987-01-20 — — US disclosed
US-4632940-A N-substituted 1-(4'-alkylsulfonylphenyl)-2-amino-1,3-propanediols, pharmaceutical compositions containing them, having local anesthetic activity ZAMBON S.P.A. (IT) 1986-12-30 — — US disclosed
EP-0136736-A1 1-(4'-alkylthiophenyl)-2-amino-1,3-propanediol N-substituted derivatives ZAMBON S.p.A. (IT) 1985-04-10 — — EP disclosed
EP-0136737-A1 1-(4'Alkylsulfonylphenyl)-2-amino-1,3-propanediol N-substituted derivatives ZAMBON S.p.A. (IT) 1985-04-10 — — EP disclosed
US-4478837-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1984-10-23 — — US disclosed
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 — — US disclosed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 — — US disclosed
US-3954754-A ANTIHYPERTENSIVES SANDOZ LTD. (CH) 1976-05-04 — — US 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 (2 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-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 LMNA 1306/4885POLB 4774/4885CYP2D6 4537/4885
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 LMNA 2538/4885POLB 3673/4885CYP2D6 539/4885

“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.