SCHEMBL92278

SCHEMBL92278

Cc1cc(F)c(NC(=O)c2nccc3ccccc23)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.45
FLT3 P36888 1/20 0.45
CNR2 P34972 5/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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) KMT2AMEN1TP53MAPTTSHR
SCHEMBL92276 0.88 KMT2A (0.44) KMT2AMEN1TP53MAPTTSHR
SCHEMBL91551 0.81 RAB9A (0.51) KMT2AMEN1TP53MAPTTSHR
SCHEMBL92237 0.80 KMT2A (0.64) KMT2AMEN1TP53MAPTRAB9A
SCHEMBL91564 0.78 KMT2A (0.48) KMT2AMEN1TP53MAPTTSHR
SCHEMBL14626747 0.76 ITGB1 (0.55) KMT2AMEN1TP53MAPTTSHR
SCHEMBL27578618 0.76 ITGB1 (0.46) KMT2AMEN1TP53MAPTTSHR
SCHEMBL92213 0.76 HIF1A (0.58) TP53SMN1; SMN2
SCHEMBL93046 0.76 MAPT (0.63) TP53MAPTLMNAPOLBSMN1; SMN2
SCHEMBL91540 0.76 RAB9A (0.55) KMT2AMEN1TP53MAPTTSHR

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 568/4885MEN1 4254/4885TP53 4440/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885MEN1 4337/4885TP53 4330/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885MEN1 4226/4885TP53 4578/4885

“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.