SCHEMBL5064689

SCHEMBL5064689

CCOC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
TSHR P16473 5/20 0.59
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 4/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.47
TLR2 O60603 1/20 0.47
NSD2 O96028 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 1/20 0.47
GRK6 P43250 1/20 0.47
RECQL P46063 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47

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
SCHEMBL916814 0.87 ALDH1A1 (0.54) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL31346705 0.82 ALDH1A1 (0.52) ALDH1A1TSHRPOLBLMNAHPGD
SCHEMBL13141243 0.82 ALDH1A1 (0.52) ALDH1A1TSHRPOLBLMNAHPGD
SCHEMBL31751926 0.80 ALDH1A1 (0.65) ALDH1A1POLBHPGDTDP1KMT2A
SCHEMBL6964510 0.80 ALDH1A1 (0.65) ALDH1A1POLBHPGDTDP1KMT2A
SCHEMBL916911 0.80 KMT2A (0.65) ALDH1A1LMNAHPGDNPSR1KDM4E
SCHEMBL151035 0.75 ALDH1A1 (0.60) ALDH1A1TSHRPOLBLMNAHPGD
SCHEMBL30687382 0.75 ALDH1A1 (0.60) ALDH1A1TSHRPOLBLMNAKDM4E
SCHEMBL1801024 0.74 ALDH1A1 (0.65) ALDH1A1TSHRPOLBLMNAHPGD
SCHEMBL2093655 0.74 ALDH1A1 (0.58) ALDH1A1TSHRPOLBLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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 (2 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-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 ALDH1A1 1911/4885TSHR 71/4885POLB 3960/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ALDH1A1 1026/4885TSHR 3710/4885POLB 4028/4885

“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.