SCHEMBL452300

SCHEMBL452300

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.63
ALDH1A1 P00352 2/20 0.61
SLC9A1 P19634 1/20 0.58
HPGD P15428 1/20 0.54
FFAR1 O14842 1/20 0.53
DEGS1 O15121 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NAMPT P43490 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8183655 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL1524081 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL1623752 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL12431140 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL452299 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL987381 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL11475389 0.86 HDAC4 (0.50) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL2034678 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL8295172 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL5217474 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486218-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2025-12-02 US disclosed
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
US-5089639-A N-CYCLOALKYLALKYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT AND THEIR SYNTHESIS INTERMEDIATES JOUVEINAL S.A. (FR) 1992-02-18 US disclosed
US-5034419-A Psychological disorders or gastrointestinal disorders L'OREAL (FR) 1991-07-23 US disclosed
US-4739074-A Adamantane spiro-pyrrolidine derivatives PENNWALT CORPORATION (US) 1988-04-19 US disclosed
US-4254285-A 1-Hydroxymethyl-1-1-oxo prostane derivatives of the E and F series AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4250325-A ANTISECRETORY, BRONCHODILATOR, ANTIFERTILITY, AND ANTIINFLAMMATORY AGENTS; OXYTOCICS; MUSCLE STIMULANTS AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed
US-4233217-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS, AND ANTIHISTAMINES PENNWALT CORPORATION (US) 1980-11-11 US disclosed
EP-0013107-A1 16-Hydroxy-16-vinyl (or cyclopropyl)-prostan-1-ols and pharmaceutical compositions containing the same AMERICAN CYANAMID COMPANY (US) 1980-07-09 EP disclosed
US-4210749-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS PENNWALT CORPORATION (US) 1980-07-01 US disclosed
EP-0002590-A1 Novel prostaglandin compounds, processes for the preparation thereof and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-06-27 EP disclosed
US-4016204-A ISOMERIZING ETHYL-2-PHENYL-CYCLOPROPANE CARBOXYLATE NELSON RESEARCH & DEVELOPMENT COMPANY (US) 1977-04-05 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 (7 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 HDAC4 41/4885ALDH1A1 1386/4885SLC9A1 2475/4885
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 HDAC4 18/4885ALDH1A1 1158/4885SLC9A1 2608/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885ALDH1A1 2932/4885SLC9A1 4193/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA HDAC4 41/4885ALDH1A1 1386/4885SLC9A1 2475/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885ALDH1A1 2932/4885SLC9A1 4193/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HDAC4 1635/4885ALDH1A1 2932/4885SLC9A1 4193/4885
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA HDAC4 41/4885ALDH1A1 1386/4885SLC9A1 2475/4885

“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.