SCHEMBL92266

SCHEMBL92266

Cc1ccc(NC(=O)c2cccc3ccccc23)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ MAPT P10636 5/20 0.56
▸ GAA P10253 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ MMP3 P08254 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ PLK1 P53350 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL92222 0.86 RAB9A (0.65) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL28701891 0.84 F10 (0.66) RAB9ANPC1MAPTGAANFKB1
SCHEMBL92280 0.84 RAB9A (0.72) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL92220 0.82 RAB9A (0.59) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL20022682 0.81 RAB9A (0.59) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL27774119 0.80 MAPT (0.72) RAB9ANPC1KMT2AMAPTGAA
SCHEMBL91549 0.80 RAB9A (0.62) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL91651 0.78 RAB9A (0.56) RAB9ANPC1KMT2AMAPTGAA
SCHEMBL10273857 0.78 NPC1 (0.54) RAB9ANPC1KMT2APOLBMAPT
SCHEMBL91534 0.78 MAOB (0.60) RAB9ANPC1MAPTGAANFKB1

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 RAB9A 1503/4885NPC1 680/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885NPC1 551/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885NPC1 624/4885KMT2A 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.

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