SCHEMBL12875698

SCHEMBL12875698

Cc1c(C(=O)OC(C)(C)C)cnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
JUN P05412 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL28950678 0.81 NPC1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL10184712 0.80 KMT2A (0.53) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL8573566 0.77 RAB9A (0.50) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL12868446 0.77 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL1198771 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL23366843 0.76 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL1663553 0.74 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL1641560 0.74 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL1198000 0.73 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL1198574 0.73 SMN1; SMN2 (0.47) SMN1; SMN2NPC1LMNAKMT2AGPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395301-B Bicyclic thiophene base amide compound 霍夫曼-拉罗奇有限公司 2017-07-28 CN disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A SMN1; SMN2 2057/4885NPC1 3877/4885RAB9A 2507/4885

“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.