SCHEMBL3142212

SCHEMBL3142212

O=[N+]([O-])/N=N/c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HTT P42858 3/20 0.58
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ PLAU P00749 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL3142217 1.00 MAPT (0.58) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL3191872 0.85 GPR35 (0.39) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL28755742 0.78 CTSB (0.51) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL5838349 0.77 NPC1 (0.59) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL28436497 0.77 MAPT (0.59) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL24213305 0.77 NPC1 (0.59) MAPTKMT2AKDM4ESMN1; SMN2MEN1
Nitrophenolate SCHEMBL27457258 0.77 NPC1 (0.59) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL5838346 0.77 NPC1 (0.59) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL6129303 0.76 NPC1 (0.58) MAPTKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL8557082 0.76 MEN1 (0.42) MAPTKMT2AKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
US-20060264630-A1 Substituted phenylacetic acids METABOLEX, INC. (US) 2006-11-23 — — US disclosed
US-7078421-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2006-07-18 — — US disclosed
EP-1487843-A2 SUBSTITUTED PHENYLACETIC ACIDS Metabolex, Inc. (US) 2004-12-22 — — EP disclosed
US-20040029933-A1 Substituted phenylacetic acids METABOLEX, INC. 2004-02-12 — — US disclosed
WO-2003080545-A2 SUBSTITUTED PHENYLACETIC ACIDS METABOLEX, INC. (US) 2003-10-02 — — 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 (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-20040029933-A1 Substituted phenylacetic acids PNLIP, PC, PAOX MAPT 2832/4885KMT2A 1635/4885KDM4E 3805/4885
US-20060264630-A1 Substituted phenylacetic acids PNLIP, PC, PAOX MAPT 2832/4885KMT2A 1635/4885KDM4E 3805/4885

“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.

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