SCHEMBL92389

SCHEMBL92389

Cc1cc(Cl)c(NC(=O)c2c[nH]c3cc(F)ccc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDO2 P48775 4/20 0.42
IDO1 P14902 1/20 0.41
NR4A2 P43354 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NHERF1 O14745 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 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
SCHEMBL92367 0.91 NHERF1 (0.46) NPC1MEN1KMT2ANR4A2MAPT
SCHEMBL92571 0.87 NPC1 (0.57) NPC1MEN1KMT2ANR4A2NHERF1
SCHEMBL14626746 0.78 HDAC1 (0.43) NPC1MEN1KMT2ATDO2IDO1
SCHEMBL91550 0.77 MAPT (0.41) MAPTALOX15TAS1R3TAS1R1TAS1R2
SCHEMBL92360 0.77 MAPT (0.41) NPC1MAPTALOX15TAS1R3TAS1R1
SCHEMBL92496 0.76 MAPT (0.42) MEN1KMT2ATDO2IDO1MAPT
SCHEMBL92374 0.76 NPC1 (0.61) NPC1MEN1KMT2ANR4A2NHERF1
SCHEMBL92574 0.76 NPC1 (0.61) NPC1MEN1KMT2ANR4A2NHERF1
SCHEMBL14591759 0.76 ITGA4 (0.42) NPC1MEN1KMT2ATDO2IDO1
SCHEMBL92330 0.75 MAOB (0.42) NPC1MAPTALOX15TAS1R3TAS1R1

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 NPC1 680/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 NPC1 551/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NPC1 624/4885MEN1 4226/4885KMT2A 881/4885

“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.