SCHEMBL91564

SCHEMBL91564

Cc1cc(Cl)c(NC(=O)c2nccc3ccccc23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
FLT3 P36888 1/20 0.47
RAB9A P51151 3/20 0.45
CNR2 P34972 2/20 0.43
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL91533 0.90 ITGB1 (0.47) KMT2ATP53MAPTMEN1TSHR
SCHEMBL91540 0.85 RAB9A (0.55) KMT2ATP53MAPTMEN1TSHR
SCHEMBL91551 0.81 RAB9A (0.51) KMT2ATP53MAPTMEN1TSHR
SCHEMBL92226 0.80 RAB9A (0.57) KMT2ATP53MAPTMEN1RAB9A
SCHEMBL27578609 0.78 MEN1 (0.44) KMT2ATP53MAPTMEN1TSHR
SCHEMBL14626747 0.78 ITGB1 (0.55) KMT2ATP53MAPTMEN1TSHR
SCHEMBL27578618 0.78 ITGB1 (0.46) KMT2ATP53MAPTMEN1TSHR
SCHEMBL92278 0.78 KMT2A (0.48) KMT2ATP53MAPTMEN1TSHR
SCHEMBL2429653 0.78 AKR1B1 (0.46) KMT2ATP53MAPTMEN1TSHR
SCHEMBL2429149 0.77 ITGB1 (0.55) KMT2ATP53MAPTMEN1TSHR

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 KMT2A 568/4885TP53 4440/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885TP53 4330/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885TP53 4578/4885MAPT 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.