SCHEMBL643543

SCHEMBL643543

COc1ccc2c(c1)NCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CASP1 P29466 1/20 0.54
MPI P34949 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 4/20 0.50
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
MAPT P10636 2/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL30718037 1.00 ALDH1A1 (0.54) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6409810 0.90 HTT (0.48) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL5758982 0.87 PDE3B (0.58) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL22451527 0.82 RYR2 (0.56) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL4792795 0.80 METAP1 (0.45) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6294041 0.80 ALDH1A1 (0.58) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL29783338 0.79 PDE3B (0.56) ALDH1A1HTTKDM4EPDE3BPDE3A
SCHEMBL2254756 0.79 PDE3B (0.56) ALDH1A1HTTKDM4EPDE3BPDE3A
SCHEMBL10989615 0.77 ALDH1A1 (0.54) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6585430 0.77 MEN1 (0.48) ALDH1A1HPGDHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-03-26 US disclosed
US-20250129076-A1 FUSED TETRACYCLIC COMPOUNDS, COMPOSITIONS AND DIAGNOSTIC APPLICATIONS THEREOF BENAZIR FATHIMA (IN) 2025-04-24 US disclosed
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER SEARCH (OICR) (CA) 2023-12-26 US disclosed
WO-2023017548-A1 FUSED TETRACYCLIC COMPOUNDS, COMPOSITIONS AND DIAGNOSTIC APPLICATIONS THEREOF BENAZIR J DR FATHIMA (IN) 2023-02-16 WO disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 US disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 US disclosed
CN-109503478-B 2, 3-dihydro-1H-quinoline-4-ketone thiosemicarbazone derivative and preparation method and application thereof 岭南师范学院 2020-04-24 CN disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 WO 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 (4 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-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF HDAC6, C9, AADAC ALDH1A1 178/4885HPGD 81/4885HTT 1365/4885
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK1, JAK3 ALDH1A1 3695/4885HPGD 2464/4885HTT 3591/4885
US-20250129076-A1 FUSED TETRACYCLIC COMPOUNDS, COMPOSITIONS AND DIAGNOSTIC APPLICATIONS THEREOF POLRMT, POLM, DNTT ALDH1A1 1893/4885HPGD 3840/4885HTT 644/4885
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof HDAC6, C9, AADAC ALDH1A1 178/4885HPGD 81/4885HTT 1365/4885

“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.