SCHEMBL4494644

SCHEMBL4494644

O=C(CCCCl)NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
BCHE P06276 1/20 0.43
AGTR1 P30556 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL18222999 0.88 ALDH1A1 (0.67) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL10542963 0.83 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL1563556 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL1563011 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL2524844 0.77 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL1563600 0.76 ALDH1A1 (0.69) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL2523003 0.75 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL8358160 0.75 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL2522823 0.74 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E
SCHEMBL2527646 0.74 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123591-A1 TGF-ß INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-04-20 US disclosed
WO-2023051495-A1 ISOQUINOLINONE AND QUINAZOLINONE COMPOUNDS, AND COMPOSITION AND USE THEREOF 中山医诺维申新药研发有限公司 2023-04-06 WO disclosed
CN-115873000-A Isoquinolone and quinazolinone compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2023-03-31 CN disclosed
EP-3277673-B1 TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-05-04 EP disclosed
EP-3277673-B1 TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-05-04 EP disclosed
US-20210130361-A1 TGF-ß INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-05-06 US disclosed
US-10822337-B2 TGF-β inhibitorC RIGEL PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-10822337-B2 TGF-β inhibitorC RIGEL PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 US disclosed
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 US disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 WO disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (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-10822337-B2 TGF-β inhibitorC TGFBR1, TGFBR2, TGFB1 ALDH1A1 1989/4885RAB9A 3428/4885SMN1; SMN2 2617/4885
US-20210130361-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 ALDH1A1 1295/4885RAB9A 2799/4885SMN1; SMN2 2991/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 ALDH1A1 2217/4885RAB9A 2005/4885SMN1; SMN2 4655/4885
US-20180086764-A1 TGF-ß Inhibitors TGFBR1, TGFBR2, TGFB1 ALDH1A1 1295/4885RAB9A 2799/4885SMN1; SMN2 2991/4885
US-20230123591-A1 TGF-ß INHIBITORS TGFBR1, TGFBR2, TGFB1 ALDH1A1 1295/4885RAB9A 2799/4885SMN1; SMN2 2991/4885

“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.