SCHEMBL92605

SCHEMBL92605

COc1cc(C)ccc1NC(=O)c1cn(C)c2ccc(C)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
CREBBP Q92793 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
EPHX1 P07099 2/20 0.48
LMNA P02545 1/20 0.48
AHR P35869 1/20 0.48
BRPF1 P55201 2/20 0.47
BRD4 O60885 1/20 0.47
KCNMA1 Q12791 2/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL92336 0.90 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL93049 0.82 RAB9A (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL92613 0.82 RAB9A (0.56) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10273155 0.81 MAOB (0.47) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL92493 0.78 BRPF1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2CREBBP
SCHEMBL19657565 0.77 NR4A2 (0.68) CREBBPBRD4POLBKDM4E
SCHEMBL10273947 0.77 NR4A2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL93044 0.77 RAB9A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL14626962 0.75 POLB (0.63) MEN1KMT2AALDH1A1LMNABRPF1
SCHEMBL72352 0.75 POLB (0.61) MEN1KMT2AALDH1A1HPGDLMNA

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 MEN1 4254/4885KMT2A 568/4885ALDH1A1 216/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MEN1 4337/4885KMT2A 656/4885ALDH1A1 207/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MEN1 4226/4885KMT2A 881/4885ALDH1A1 525/4885

“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.