SCHEMBL2860176

SCHEMBL2860176

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(C(I)C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.44
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
PTPN1 P18031 1/20 0.37
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2858288 0.87 FLT3 (0.43) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2859825 0.84 NPC1 (0.40) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL2856378 0.81 FLT3 (0.44) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL6032268 0.80 MAPT (0.49) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2861148 0.78 KDM4E (0.40) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2871401 0.78 MAPT (0.42) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2859134 0.78 FLT3 (0.43) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2866520 0.78 KDM4E (0.39) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2861681 0.78 FLT3 (0.47) FLT3KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL2856151 0.77 ADRB2 (0.39) FLT3KDM4ENPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P FLT3 1075/4885KDM4E 2968/4885NPC1 1079/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P FLT3 1075/4885KDM4E 2968/4885NPC1 1079/4885

“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.