Sugi Predict

Sugi Predict / Compounds / SCHEMBL1119481

SCHEMBL1119481

SCHEMBL1119481

COc1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.78
▸ RAB9A P51151 2/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ HPGD P15428 1/20 0.78
▸ SMPD1 P17405 2/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ ABCB1 P08183 2/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ MRGPRX4 Q96LA9 2/20 0.59
▸ RXRA P19793 1/20 0.58
▸ ATM Q13315 1/20 0.57

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
SCHEMBL31194744 1.00 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL8356708 0.92 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL21436905 0.88 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL7047105 0.88 SMN1; SMN2 (0.80) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL6811211 0.88 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL12112515 0.87 MRGPRX4 (0.74) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL341249 0.86 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL6453697 0.86 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL6246974 0.86 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL242563 0.86 MRGPRX4 (0.77) NPC1RAB9ASMN1; SMN2HPGDSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023640-A1 PHENYLIMIDAZOLE COMPOUND Otsuka Pharmaceutical Factory, Inc. (JP) 2022-07-06 — — EP disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 — — US disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 — — US disclosed
EP-3883556-A2 TGF? INHIBITOR AND PRODRUGS Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2021-09-29 — — EP disclosed
CN-113347965-A TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2021-09-03 — — CN disclosed
US-10570117-B2 Phenylimidazole compound OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2020-02-25 — — US disclosed
US-20180354930-A1 PHENYLIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2018-12-13 — — US disclosed
EP-3401310-A1 PHENYLIMIDAZOLE COMPOUND Otsuka Pharmaceutical Factory, Inc. (JP) 2018-11-14 — — EP disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 — — US disclosed
EP-1381363-A1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-21 — — EP disclosed
US-20030212096-A1 Substituted imidazo [1,2-a] pyridine derivatives MUTEL VINCENT (FR) 2003-11-13 — — US disclosed
US-6596731-B2 An imidazo(1,2-a)pyridine derivative useful for treating chronical or acute neurological disorders, cognitive disorders and memory deficits HOFFMANN-LA ROCHE INC. 2003-07-22 — — US disclosed
US-20020188128-A1 Substituted imidazo[1,2-A] pyridine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-12-12 — — US disclosed
WO-2002092086-A1 IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 — — WO disclosed
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 — — US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 — — US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 — — EP disclosed
CN-1155279-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7,-diol and 1-(4-hydrophenyl)-2-(piperidinyl-1)-alkane alcohol PFIZER (US) 1997-07-23 — — CN disclosed
US-4513001-A β-Adrenergic 1-[1-benzimidazolyl]-N-[2-(4-hydroxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-3-amino butane and salts and hydrates thereof LABORATOIRE ROGER BELLON (FR) 1985-04-23 — — 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 (6 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-10570117-B2 Phenylimidazole compound LPL, PNLIP, LIPC NPC1 46/4885RAB9A 3855/4885SMN1; SMN2 2629/4885
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 NPC1 1441/4885RAB9A 2472/4885SMN1; SMN2 2893/4885
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 NPC1 374/4885RAB9A 3206/4885SMN1; SMN2 3101/4885
US-20030212096-A1 Substituted imidazo [1,2-a] pyridine derivatives GRM5, GRM1, GRIK5 NPC1 413/4885RAB9A 982/4885SMN1; SMN2 768/4885
US-20180354930-A1 PHENYLIMIDAZOLE COMPOUND PNLIP, PLIN1, HDAC11 NPC1 5/4885RAB9A 3999/4885SMN1; SMN2 3941/4885
US-20020188128-A1 Substituted imidazo[1,2-A] pyridine derivatives GRM5, GRM1, GRIK5 NPC1 413/4885RAB9A 982/4885SMN1; SMN2 768/4885

“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.