Sugi Predict

Sugi Predict / Compounds / SCHEMBL1313626

SCHEMBL1313626

SCHEMBL1313626

OCc1cc(-c2ccccc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 1.00
▸ NPC1 O15118 7/20 0.65
▸ RAB9A P51151 7/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ LMNA P02545 3/20 0.65
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ CYP11B1 P15538 3/20 0.55
▸ MAPT P10636 2/20 0.54
▸ CYP11B2 P19099 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL23881749 0.85 NOTUM (0.74) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL190291 0.83 NOTUM (0.72) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3233333 0.83 NOTUM (0.72) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31434870 0.83 NOTUM (0.71) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13247845 0.82 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL103310 0.81 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL189884 0.81 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8577207 0.81 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23852324 0.81 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4311207 0.81 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2835372-B1 THIOPHENE [2, 3-D]PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF FUJIAN MATTER STRUCTURE (CN) 2016-05-04 — — EP claimed
EP-2752413-B1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN MATTER STRUCTURE (CN) 2016-03-23 — — EP claimed
US-12134626-B2 Ferrocene derivative, preparation method therefor and use thereof XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2024-11-05 — — US disclosed
CN-118561865-A Thiophene [2,3-d ] pyrimidine derivative and application thereof 厦门稀土材料研究所 2024-08-30 — — CN disclosed
CN-118561945-A 18 Beta-glycyrrhetinic acid ester derivative and preparation method and application thereof 厦门稀土材料研究所 2024-08-30 — — CN disclosed
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 — — US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2024-01-04 — — US disclosed
EP-4232025-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-08-30 — — EP disclosed
CN-115838387-A Ferrocene derivatives, preparation method and application thereof 厦门稀土材料研究所 2023-03-24 — — CN disclosed
US-20220356199-A1 FERROCENE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2022-11-10 — — US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 — — EP disclosed
WO-1998015541-A1 NOVEL ISOXAZOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1998-04-16 — — WO disclosed
WO-1998000376-A1 FLUOROUS REACTION AND SEPARATION SYSTEMS UNIVERSITY OF PITTSBURGH (US) 1998-01-08 — — WO disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 — — WO disclosed
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 — — US disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 — — US disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 — — EP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 — — US disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 — — 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 (4 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-12134626-B2 Ferrocene derivative, preparation method therefor and use thereof SLC39A11, SLC40A1, FAR1 NOTUM 26/4885NPC1 208/4885RAB9A 2702/4885
US-20220356199-A1 FERROCENE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SLC39A11, SLC40A1, FAR1 NOTUM 16/4885NPC1 266/4885RAB9A 2718/4885
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 NOTUM 1528/4885NPC1 3349/4885RAB9A 1949/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NOTUM 3162/4885NPC1 2807/4885RAB9A 3769/4885

“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.