Sugi Predict

Sugi Predict / Compounds / SCHEMBL1224903

SCHEMBL1224903

SCHEMBL1224903

NC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.65
▸ HDAC4 P56524 1/20 0.61
▸ HPGD P15428 2/20 0.53
▸ FFAR1 O14842 1/20 0.51
▸ DEGS1 O15121 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ KDM1A O60341 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP2B6 P20813 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ KDM4E B2RXH2 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
SCHEMBL12836827 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4740282 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4130704 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4856112 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL871538 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL5816055 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL7050196 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL4380280 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL6388776 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Ammonia Solution, Strong SCHEMBL27604546 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 — — EP claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — US claimed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 — — EP claimed
JP-2006522109-A — — 2006-09-28 — — JP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 — — EP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 — — EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 — — WO claimed
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 — — EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 — — EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 — — US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 — — US claimed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 — — EP claimed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 — — CN claimed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 — — WO claimed
US-12486218-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2025-12-02 — — US disclosed
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 — — US disclosed
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 — — US disclosed
US-5945431-A VIRICIDE BIOCHEM THERAPEUTICS INCORPORATED (CA) 1999-08-31 — — US disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 — — US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 — — 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 (5 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-12486218-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA SLC9A1 2475/4885ALDH1A1 1386/4885HDAC4 41/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 SLC9A1 3006/4885ALDH1A1 2069/4885HDAC4 1085/4885
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 SLC9A1 4364/4885ALDH1A1 1661/4885HDAC4 3098/4885
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA SLC9A1 2475/4885ALDH1A1 1386/4885HDAC4 41/4885
US-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 SLC9A1 3155/4885ALDH1A1 2126/4885HDAC4 425/4885

“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.