SCHEMBL946884

SCHEMBL946884

CN(C)c1cc(C(=O)O)cc(Oc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.52
F2 P00734 6/20 0.51
AKR1C3 P42330 1/20 0.45
MCL1 Q07820 1/20 0.44
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TTR P02766 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
Nitrous Acid SCHEMBL28516210 0.90 F10 (0.50) F10F2AKR1C3MCL1ALDH1A1
SCHEMBL943936 0.84 F2 (0.59) F10F2MAPK1MAPTL3MBTL1
SCHEMBL28516207 0.80 F10 (0.44) F10F2AKR1C3L3MBTL1ALDH1A1
SCHEMBL19330154 0.80 KDM4E (0.53) F10MEN1CYP1A2KMT2AALDH1A1
SCHEMBL18748481 0.77 F10 (0.55) F10F2AKR1C3MCL1MAPK1
SCHEMBL6576581 0.73 F10 (0.61) F10F2AKR1C3L3MBTL1
SCHEMBL28506542 0.71 SMN1; SMN2 (0.43) F10F2MAPK1MAPTL3MBTL1
SCHEMBL1179043 0.71 MEN1 (0.46) MAPK1MEN1HPGDKMT2AALDH1A1
SCHEMBL18049153 0.70 SMN1; SMN2 (0.41) F10MAPK1MAPTL3MBTL1MEN1
SCHEMBL238350 0.70 LOXL2 (0.59) F10F2AKR1C3MAPTALDH1A1

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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
EP-2245025-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-03 EP disclosed
WO-2009106209-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-03 WO 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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 F10 4173/4885F2 2544/4885AKR1C3 434/4885

“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.