SCHEMBL91527

SCHEMBL91527

Cc1cc(Cl)c(NC(=O)c2csc3ccc(F)cc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
PYGL P06737 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F10 P00742 1/20 0.39
LMNA P02545 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
AVPR1A P37288 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL92608 0.91 RAB9A (0.43) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL91550 0.91 MAPT (0.41) MAPTPYGLSMN1; SMN2TP53GAA
SCHEMBL91650 0.87 SMN1; SMN2 (0.49) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL10273141 0.84 RAB9A (0.46) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL92620 0.80 RAB9A (0.46) MAPTSMN1; SMN2TP53KDM4EF10
SCHEMBL93043 0.79 MAPT (0.47) MAPTSMN1; SMN2TP53KDM4ELMNA
SCHEMBL92330 0.77 MAOB (0.42) MAPTLMNATAS1R3TAS1R1TAS1R2
SCHEMBL92367 0.77 NHERF1 (0.46) MAPTPYGLMTNR1AMTNR1BKDM4E
SCHEMBL91671 0.77 HDAC3 (0.54) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL92363 0.76 ITGB1 (0.42) MAPTTP53KDM4ELMNATAS1R3

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 MAPT 4775/4885PYGL 2631/4885SMN1; SMN2 4739/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885PYGL 2541/4885SMN1; SMN2 4702/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885PYGL 2342/4885SMN1; SMN2 4787/4885

“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.