SCHEMBL3551316

SCHEMBL3551316

O=C(O)c1ccc2c(c1Br)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
METAP2 P50579 3/20 0.40
RXRA P19793 5/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.37
CXCR5 P32302 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PLA2G1B P04054 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL19810484 0.81 KMT2A (0.40) MEN1KMT2AALDH1A1RXRAKDM4E
SCHEMBL819226 0.78 METAP2 (0.51) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL2787728 0.78 SELL (0.47) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL13318318 0.77 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL564223 0.77 METAP2 (0.47) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL6419613 0.77 RXRA (0.46) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL11741404 0.77 CYP1A2 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL87519 0.77 CYP1A2 (0.57) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL11303591 0.76 CYP1A2 (0.41) MEN1KMT2AALDH1A1METAP2RXRA
SCHEMBL720289 0.76 METAP2 (0.46) MEN1KMT2AALDH1A1METAP2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596564-B diphenylmethane derivatives as SGLT2 inhibitors GREEN CROSS CORP. (KR) 2016-05-04 CN disclosed
CN-103596564-A Novel diphenylmethane derivatives as SGLT2 inhibitors GREEN CROSS CORP 2014-02-19 CN disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 MEN1 1317/4885KMT2A 1619/4885ALDH1A1 453/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC MEN1 684/4885KMT2A 1240/4885ALDH1A1 412/4885

“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.