SCHEMBL3115010

SCHEMBL3115010

O=C(NC1CC1)c1ccc(-n2nnc(C(=O)O)c2CCCOCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TMEM97 Q5BJF2 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC6A12 P48065 1/20 0.39
MCHR1 Q99705 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3101212 0.95 MAPK11 (0.42) MAPK11MAPK14TMEM97RAB9ASMN1; SMN2
SCHEMBL3117732 0.89 MAPK11 (0.39) MAPK11MAPK14SMN1; SMN2LMNAMCHR1
SCHEMBL3112021 0.89 GLS (0.40) MAPK11MAPK14RAB9AMAPTMEN1
SCHEMBL3113884 0.88 OPRM1 (0.40) MAPK11MAPK14RAB9ASMN1; SMN2MEN1
SCHEMBL3112209 0.86 SLC6A5 (0.40) MAPK11MAPK14TMEM97LMNASLC6A5
SCHEMBL3107172 0.86 RAB9A (0.40) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3117372 0.86 ALDH1A1 (0.42) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3112223 0.86 PPARG (0.40) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3099846 0.85 GLS (0.41) MAPK11MAPK14SMN1; SMN2MAPTOPRM1
SCHEMBL3117389 0.84 MLYCD (0.38) RAB9ASMN1; SMN2MEN1KMT2AGAA

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
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MAPK11 2236/4885MAPK14 1769/4885TMEM97 2392/4885

“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.