SCHEMBL4544224

SCHEMBL4544224

O=c1ccn(-c2ccccc2)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 1/20 0.41
COMT P21964 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MPI P34949 1/20 0.37
CYP2C9 P11712 1/20 0.37
MGLL Q99685 1/20 0.35
LDHA P00338 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL482140 0.78 SMN1; SMN2 (1.00) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL11775647 0.69 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL5963314 0.69 HPGD (0.68) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL10689850 0.68 SMN1; SMN2 (0.55) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL564993 0.68 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL11000015 0.67 KDM4E (0.45) SMN1; SMN2TSHRMEN1KMT2AKDM4E
SCHEMBL9299526 0.67 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL3655311 0.66 TSHR (0.48) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL6412476 0.62 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMEN1KMT2AGAA
SCHEMBL3248315 0.62 DYRK1A (0.43) SMN1; SMN2KMT2AGAAGSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581477-B1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-02 EP disclosed
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 US disclosed
EP-1581477-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-10-05 EP disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US disclosed
WO-2004056746-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 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-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA SMN1; SMN2 4583/4885TSHR 1037/4885COMT 4730/4885

“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.