SCHEMBL5657236

SCHEMBL5657236

CCCOCCOc1ccc(OB(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RARB P10826 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
LTA4H P09960 2/20 0.44
KDM4E B2RXH2 4/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NR5A1 Q13285 1/20 0.41
MAPT P10636 2/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL6339445 0.91 RARB (0.44) LMNAMEN1KMT2ARARBUSP2
SCHEMBL3157088 0.91 RARB (0.55) LMNAMEN1KMT2ARARBUSP2
SCHEMBL2413751 0.89 LTA4H (0.55) LMNAMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7928208 0.88 NR5A1 (0.53) LMNAMEN1KMT2ARARBUSP2
SCHEMBL6341253 0.87 THRA (0.48) LMNAMEN1KMT2ARARBUSP2
SCHEMBL7929638 0.87 NR5A1 (0.56) LMNAMEN1KMT2ARARBUSP2
SCHEMBL6342713 0.85 LMNA (0.44) LMNAMEN1KMT2ARARBUSP2
SCHEMBL2772370 0.85 LTA4H (0.55) CYP3A4SMN1; SMN2LTA4HKDM4ETSHR
SCHEMBL7221364 0.83 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MAPK1KDM4E
SCHEMBL19725421 0.82 CA1 (0.47) LMNAMEN1KMT2ARARBUSP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 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 (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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 LMNA 753/4885MEN1 729/4885KMT2A 391/4885

“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.