SCHEMBL1720

SCHEMBL1720

Br[Mg]CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
MAOA P21397 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR3A P46098 1/20 0.47
MAOB P27338 2/20 0.46
HTR2A P28223 1/20 0.46
MIF P14174 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL7163153 0.93 MAOA (0.52) SIGMAR1MAOATDP1HTR3AMAOB
SCHEMBL9428184 0.91 SIGMAR1 (0.52) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL7166792 0.91 SIGMAR1 (0.52) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL9671296 0.91 SIGMAR1 (0.52) SIGMAR1MAOAMAOBL3MBTL1
SCHEMBL15530118 0.91 SIGMAR1 (0.52) SIGMAR1MAOAMAOBL3MBTL1
Formic Acid SCHEMBL30734367 0.88 HDAC3 (0.46) SIGMAR1MAOATDP1HTR3AHDAC3
SCHEMBL129338 0.85 TDP1 (0.52) SIGMAR1MAOATDP1MAOBHTR2A
SCHEMBL11151727 0.82 FFAR1 (0.50)
SCHEMBL11593970 0.80 SIGMAR1 (0.52) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL11149070 0.79 TAAR1 (0.48) SIGMAR1HTR2AIDO1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP claimed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US claimed
CN-1169730-A Aromatic heterocyclic derivatives as enzyme inhibitors CORVAS INT INC (US) 1998-01-07 CN claimed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP claimed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO claimed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO claimed
WO-2026044165-A1 STEREOISOMERIC FUSED-CYCLOPROPYL ANALOGUES OF 4-HYDROXYCYCLOHEXANE CARBOXAMIDES AND RELATED COMPOUNDS DORN II GERALD W (US) 2026-02-26 WO disclosed
CN-116199610-B Compounds having glycosidase inhibitory activity, salts and hydrates thereof and use thereof 中国科学院化学研究所 2025-03-25 CN disclosed
US-12053459-B2 CDK2 inhibitors and methods of using the same CEDILLA THERAPEUTICS, INC. (MA) 2024-08-06 US disclosed
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117466942-A Chiral secondary phosphine oxide compound, chiral quinazolinone/pyrimidinone ring derivative based on chiral secondary phosphine oxide compound and application of chiral quinazolinone/pyrimidinone ring derivative 中山大学 2024-01-30 CN disclosed
CN-114940694-B Steroid compound, preparation method thereof and application thereof in treatment of tumors related to p53 mutation 云南大学 2023-06-09 CN disclosed
CN-116199610-A Compounds having glycosidase inhibitory activity, salts and hydrates thereof and use thereof 中国科学院化学研究所 2023-06-02 CN disclosed
EP-0078145-A1 Resolution of racemic 5-phenyl-2-pentanol PFIZER INC. (US) 1983-05-04 EP disclosed
US-4356182-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-10-26 US disclosed
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
US-4291040-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-09-22 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 EP disclosed
US-3931196-A Phosphinolines and phosphindolines MONASH UNIVERSITY (AU) 1976-01-06 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 (1 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-12053459-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK2AP2 SIGMAR1 4780/4885MAOA 3268/4885TDP1 777/4885

“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.