SCHEMBL194280

SCHEMBL194280

O=[C]c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54
CCR1 P32246 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
MMP13 P45452 1/20 0.54

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
SCHEMBL1341511 0.79 SLC40A1 (0.55) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL29398699 0.79 SLC40A1 (0.55) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL737516 0.79 KDM4E (0.54) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL4175358 0.79 KDM4E (0.54) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL2012290 0.79 KDM4E (0.43) KDM4ELMNAMAPTTDP1MMP2
Hydrochloric Acid SCHEMBL27976997 0.78 SLC40A1 (0.54) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL6852161 0.77 KDM4E (0.47) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL6852617 0.76 KDM4E (0.50) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL2007370 0.76 MMP2 (0.31) KDM4ELMNAMAPTTDP1MMP2
SCHEMBL11966088 0.76 KDM4E (0.50) KDM4ELMNAMAPTTDP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP claimed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US claimed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US claimed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 WO claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
US-20240148916-A1 BIVALENT FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2024-05-09 US disclosed
WO-2024052333-A1 MULTIVALENT FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2024-03-14 WO disclosed
EP-0305939-A1 Process of producing sulfonylurea derivatives Takeda Chemical Industries, Ltd. (JP) 1989-03-08 EP disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP 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 (3 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B KDM4E 3575/4885LMNA 3434/4885MAPT 4135/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 KDM4E 2518/4885LMNA 1391/4885MAPT 4811/4885
US-20240148916-A1 BIVALENT FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS FAP, FIBP, FGFR2 KDM4E 3620/4885LMNA 3765/4885MAPT 3128/4885

“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.