SCHEMBL4233305

SCHEMBL4233305

COc1ccc2c(c1)OCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
AURKA O14965 1/20 0.43
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
SNCA P37840 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL31435210 1.00 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTAURKA
Hydrochloric Acid SCHEMBL1851740 0.98 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10MAPTAURKA
SCHEMBL31371763 0.90 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPTAURKA
SCHEMBL4233291 0.90 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPTAURKA
SCHEMBL1513451 0.86 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL31452931 0.86 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL7196340 0.82 SNCA (0.46) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL19231667 0.82 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTAURKA
SCHEMBL5667298 0.80 CA2 (0.44) ALDH1A1GAAHSD17B10MAPTAURKA
SCHEMBL23153424 0.79 HTR1A (0.41) ALDH1A1GAAHSD17B10MAPTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025091026-A1 THERAPEUTIC COMPOSITIONS CONTAINING G-CLAMP PNA AND USES THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-05-01 WO claimed
WO-2025091026-A1 THERAPEUTIC COMPOSITIONS CONTAINING G-CLAMP PNA AND USES THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-05-01 WO disclosed
WO-2025041625-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
WO-2025036382-A1 SULFONAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海复宏汉霖生物医药有限公司 2025-02-20 WO disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US disclosed
EP-4125861-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS The Regents of the University of California (US) 2023-02-08 EP disclosed
US-20230028644-A1 Low Greenhouse Gas Fuel Compositions BP OIL INTERNATIONAL LIMITED (GB) 2023-01-26 US disclosed
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2022-12-22 US disclosed
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-05 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
EP-1392309-B1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2007-01-17 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-09-11 US disclosed
EP-0592396-B1 BENZOXAZINE DYES BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
US-5118323-A Hair dyes CLAIROL, INC. 1992-06-02 US disclosed
US-5055110-A Hair dyes CLAIROL INCORPORATED (US) 1991-10-08 US disclosed
US-4288589-A Cationic dyes CIBA-GEIGY CORPORATION (US) 1981-09-08 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 ALDH1A1 4341/4885GAA 4116/4885HSD17B10 3312/4885
US-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands CRH, CRHR1, CRHR2 ALDH1A1 2333/4885GAA 4390/4885HSD17B10 2411/4885
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, SERPINB1 ALDH1A1 814/4885GAA 90/4885HSD17B10 550/4885
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS CRH, CRHR1, CRHR2 ALDH1A1 2429/4885GAA 4436/4885HSD17B10 2431/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALDH1A1 605/4885GAA 3626/4885HSD17B10 633/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 ALDH1A1 3889/4885GAA 3615/4885HSD17B10 2477/4885

“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.