Sugi Predict

Sugi Predict / Compounds / SCHEMBL116026

SCHEMBL116026

SCHEMBL116026

COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.85
▸ MAPT P10636 4/20 0.85
▸ LMNA P02545 3/20 0.85
▸ SMN1; SMN2 Q16637 3/20 0.85
▸ RAB9A P51151 3/20 0.85
▸ NPC1 O15118 2/20 0.85
▸ ALDH1A1 P00352 2/20 0.85
▸ HPGD P15428 2/20 0.85
▸ NFKB1 P19838 1/20 0.85
▸ NFKB2 Q00653 1/20 0.85
▸ RELA Q04206 1/20 0.85
▸ ATM Q13315 1/20 0.85
▸ NPSR1 Q6W5P4 1/20 0.85
▸ DHODH Q02127 3/20 0.76
▸ PDE10A Q9Y233 2/20 0.75
▸ TP53 P04637 3/20 0.73
▸ POLB P06746 3/20 0.72
▸ THRB P10828 1/20 0.72
▸ CYP3A4 P08684 1/20 0.71
▸ MEN1 O00255 1/20 0.70

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
SCHEMBL4601802 0.92 KDM4E (1.00) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL4208879 0.91 PLA2G2A (0.79) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL4601829 0.90 KDM4E (0.74) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL4189945 0.89 TACR3 (0.74) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL1901110 0.88 KDM4E (0.71) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL1897330 0.88 KDM4E (0.79) KDM4EMAPTLMNASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4469164 0.88 TACR3 (0.72) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL245078 0.87 PLA2G2A (0.81) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL31715954 0.87 LMNA (1.00) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL4009073 0.87 LMNA (1.00) KDM4EMAPTLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939664-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY VIRUS OF THE FAMILY CORONAVIRIDAE Consejo Superior De Investigaciones Científicas (ES) 2022-01-19 — — EP claimed
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 — — WO claimed
WO-2022013412-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY VIRUS OF THE FAMILY CORONAVIRIDAE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2022-01-20 — — WO disclosed
EP-3939664-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY VIRUS OF THE FAMILY CORONAVIRIDAE Consejo Superior De Investigaciones Científicas (ES) 2022-01-19 — — EP disclosed
CN-111574530-A ACC inhibitor and medical application thereof 徐州医科大学 2020-08-25 — — CN disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
US-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 — — US disclosed
US-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 — — US disclosed
WO-2013126664-A1 IDENTIFICATION OF NSC23925 ISOMERS TO REVERSE MULTIDRUG RESISTANCE IN HUMAN CANCERS THE GENERAL HOSPITAL CORPORATION (US) 2013-08-29 — — WO disclosed
WO-2013126664-A1 IDENTIFICATION OF NSC23925 ISOMERS TO REVERSE MULTIDRUG RESISTANCE IN HUMAN CANCERS THE GENERAL HOSPITAL CORPORATION (US) 2013-08-29 — — WO disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 — — US disclosed
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 — — EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 — — EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 — — WO disclosed
US-4711890-A TREATMENT OF ANXIETY STATES OR OF PULMONARY, RENAL, CIRCULATORY OF CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-12-08 — — US disclosed
US-4684652-A TREATING ANXIETY OR CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-08-04 — — US disclosed
US-4433150-A HYPNBOTICS, ANTICONVULSANTS, TRANQUILIZERS, ANTIDEPRESSANTS, SEDATIVES, ANTIARRHYTHMIA AGENTS PHARMINDUSTRIE (FR) 1984-02-21 — — 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 KDM4E 1144/4885MAPT 4399/4885LMNA 4460/4885
US-20140371165-A1 Identification of NSC23925 Isomers to Reverse Multidrug Resistance in Human Cancers ABCC1, MCL1, ABCB1 KDM4E 3699/4885MAPT 4494/4885LMNA 3085/4885

“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.