SCHEMBL2437553

SCHEMBL2437553

O=C(O)c1nsc2cccc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 3/20 0.42
ALB P02768 1/20 0.38
GAA P10253 6/20 0.37
PKM P14618 1/20 0.37
TTR P02766 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
PRNP P04156 1/20 0.34

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
SCHEMBL493038 0.79 MAPT (0.42) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL17233958 0.74 TDP1 (0.43) KDM4EMAPTNPC1RAB9ATSHR
SCHEMBL10285972 0.72 MAPT (0.47) MAPTSMN1; SMN2LMNAPOLBTP53
SCHEMBL260433 0.71 MAPT (0.52) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1710781 0.71 SMN1; SMN2 (0.35) KDM4EMAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL9036432 0.69 MAPT (0.51) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21232731 0.67 DYRK1A (0.47) KDM4EMAPTGAAPKMNPC1
SCHEMBL25299642 0.67 MAPK1 (0.51) KDM4EMAPTALBGAANPC1
SCHEMBL13903675 0.67 HTR2C (0.34) KDM4EMAPTGAANPC1RAB9A
SCHEMBL14886651 0.67 ALB (0.47) KDM4EALBGAATTRCES2

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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 (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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 KDM4E 1271/4885MAPT 4631/4885ALB 887/4885

“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.