SCHEMBL3272885

SCHEMBL3272885

CC(C)c1cc(NC(=O)O)nnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 5/20 0.35
GAA P10253 1/20 0.34
GPR35 Q9HC97 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
S1PR2 O95136 1/20 0.34
GLP1R P43220 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
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
SCHEMBL8800257 0.78 GABRA1 (0.31)
Trifluoroacetic Acid SCHEMBL1189459 0.76 CNR2 (0.34) ALDH1A1CNR2GAAMAPTS1PR2
SCHEMBL9907139 0.75 GAA (0.39) SMN1; SMN2ALDH1A1CNR2GAAMAPT
SCHEMBL15687875 0.73 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL27823926 0.73 S1PR2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9ACNR2
SCHEMBL7831751 0.71 GABRA1 (0.31)
SCHEMBL29252950 0.71 GAA (0.40) SMN1; SMN2ALDH1A1NPC1CNR2GAA
SCHEMBL30444970 0.71 GAA (0.40) SMN1; SMN2ALDH1A1NPC1CNR2GAA
SCHEMBL28111753 0.70 GABRA1 (0.35) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL1189463 0.70 CNR2 (0.32) CNR2S1PR2

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
CN-101981010-A Amide compound TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (2 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA SMN1; SMN2 3410/4885ALDH1A1 259/4885CYP1A2 728/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA SMN1; SMN2 3410/4885ALDH1A1 259/4885CYP1A2 728/4885

“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.