SCHEMBL92253

SCHEMBL92253

COc1cc(C)ccc1NC(=O)c1noc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.76
EPHX1 P07099 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL92287 0.85 SMN1; SMN2 (0.65) HIF1ASMN1; SMN2
SCHEMBL92201 0.83 HIF1A (0.58) HIF1AMAPTSMN1; SMN2
SCHEMBL92286 0.83 HIF1A (0.73) HIF1ASMN1; SMN2MEN1KMT2A
SCHEMBL92212 0.83 HIF1A (0.68) HIF1AMAPT
SCHEMBL91601 0.78 KDM4E (0.54) HIF1AEPHX1MAPTKDM4EMEN1
SCHEMBL91537 0.78 MAPT (0.64) EPHX1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL92544 0.77 MAPT (0.58) MAPTSMN1; SMN2LMNA
SCHEMBL91568 0.77 EPHX1 (0.49) EPHX1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3468374 0.76 HIF1A (0.71) HIF1AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL92200 0.75 HIF1A (0.70) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HIF1A 652/4885EPHX1 2783/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HIF1A 594/4885EPHX1 2558/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HIF1A 980/4885EPHX1 3733/4885MAPT 4795/4885

“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.