SCHEMBL493331

SCHEMBL493331

O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
SMPD1 P17405 1/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.52
CHUK O15111 1/20 0.52
TXNRD1 Q16881 1/20 0.52
NOX4 Q9NPH5 1/20 0.52
HDAC4 P56524 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
S1PR1 P21453 4/20 0.50
CASP3 P42574 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49

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
SCHEMBL493495 0.84 KDM4E (0.70) SMN1; SMN2LMNAKMT2AMAPTHDAC6
SCHEMBL28816257 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPKMKMT2ASMPD1
SCHEMBL4798828 0.82 TPH1 (0.50) SMN1; SMN2LMNAKMT2AMAPTHDAC4
SCHEMBL5208706 0.82 LMNA (0.65) LMNATHRBCHUKTXNRD1NOX4
SCHEMBL5205641 0.82 LMNA (0.65) LMNATHRBCHUKTXNRD1NOX4
SCHEMBL494155 0.81 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPKMKMT2ASMPD1
SCHEMBL15491561 0.81 SCN10A (0.62) LMNAPKMSMPD1MAPTKDM4E
SCHEMBL2889313 0.80 MAPT (0.55) SMN1; SMN2LMNAKMT2AMAPTTHRB
SCHEMBL1326759 0.80 NR1H4 (0.57) SMN1; SMN2SMPD1CHUKTXNRD1NOX4
SCHEMBL28816269 0.79 HTT (0.64) SMN1; SMN2LMNAPKMKMT2ASMPD1

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SMN1; SMN2 1729/4885LMNA 2485/4885PKM 1161/4885

“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.