SCHEMBL5658449

SCHEMBL5658449

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 2/20 0.53
PTGIR P43119 2/20 0.51
HTT P42858 2/20 0.51
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL5660334 0.89 MAPK14 (0.60) LMNASMN1; SMN2PTGIRHTTADRA2A
SCHEMBL4692782 0.88 ADRA2A (0.62) MEN1KMT2AHDAC1PTGIRADRA2A
SCHEMBL5657340 0.88 ADRA2A (0.58) HDAC1PTGIRADRA2AADRA2BADRA2C
SCHEMBL5656401 0.87 PTGIR (0.61) LMNASMN1; SMN2MEN1KMT2APTGIR
SCHEMBL5656110 0.86 PTGIR (0.53) LMNASMN1; SMN2PTGIRADRA2AADRA2B
Oxalic Acid SCHEMBL4687545 0.86 ADRA2A (0.60) MEN1KMT2AHDAC1PTGIRADRA2A
SCHEMBL5659297 0.86 MMP13 (0.57) LMNAHDAC1PTGIRADRA2AADRA2B
SCHEMBL5657784 0.85 LMNA (0.55) LMNASMN1; SMN2MEN1KMT2APTGIR
SCHEMBL5659545 0.85 PTGIR (0.52) LMNAHDAC1PTGIRADRA2AADRA2B
SCHEMBL5659767 0.85 PTGIR (0.57) LMNASMN1; SMN2PTGIRADRA2AADRA2B

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-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 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 (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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR LMNA 4822/4885SMN1; SMN2 4654/4885MEN1 3607/4885

“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.