SCHEMBL3108940

SCHEMBL3108940

CCCc1c(C(=O)O)nnn1-c1ccc(C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 11/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MLYCD O95822 2/20 0.48
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3115801 0.94 RAB9A (0.52) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3104158 0.90 HPGD (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3107160 0.90 RAB9A (0.46) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3109619 0.89 HPGD (0.48) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3107080 0.88 RAB9A (0.48) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3101292 0.88 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2GAANPC1MEN1
SCHEMBL3113634 0.88 RAB9A (0.45) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3115976 0.88 CYP1A2 (0.47) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL3100909 0.87 ALDH1A1 (0.47) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL3109677 0.87 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2GAANPC1MAPT

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 RAB9A 2959/4885SMN1; SMN2 4399/4885GAA 4817/4885

“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.