SCHEMBL13684384

SCHEMBL13684384

CCOC(=O)c1cc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.60
MMP2 P08253 2/20 0.53
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL927964 0.85 NR1H4 (0.58) RAB9ANPC1KDM4EALDH1A1L3MBTL1
SCHEMBL18114449 0.85 KDM4E (0.67) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL5889575 0.84 MMP13 (0.72) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL8204629 0.84 MMP13 (0.76) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL13684570 0.83 TP53 (0.50) NPC1NR1H4MEN1KMT2ATP53
SCHEMBL24601450 0.82 MMP13 (0.72) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL8205173 0.82 MMP13 (0.72) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL22718539 0.81 MMP13 (0.68) MMP13MMP2RAB9ANPC1KDM4E
SCHEMBL13684767 0.81 NR1H4 (0.55) RAB9ANPC1L3MBTL1LMNANR1H4
SCHEMBL22718574 0.80 MMP13 (0.67) MMP13MMP2RAB9ANPC1KDM4E

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
EP-2522657-B1 INDOLE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
US-8642770-B2 Indole derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-04 US disclosed
US-20130018073-A1 INDOLE DERIVATIVE Takeda Pharmaceuticl Company Limited 2013-01-17 US disclosed
EP-2522657-A1 INDOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP 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 (1 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-20130018073-A1 INDOLE DERIVATIVE MCHR1, MC1R, MCHR2 MMP13 3111/4885MMP2 3091/4885RAB9A 1305/4885

“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.