SCHEMBL5658590

SCHEMBL5658590

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCCCO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.52
RAB9A P51151 10/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTGIR P43119 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL5659545 0.86 PTGIR (0.52) LMNAPTGIR
SCHEMBL5657983 0.86 PTGIR (0.48) ALDH1A1TSHRGAAPTGIR
SCHEMBL4687576 0.86 PTGIR (0.57) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL5654933 0.84 PTGIR (0.49) LMNAPTGIR
SCHEMBL7677405 0.83 PTGIR (0.58) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL5659576 0.82 PTGIR (0.51) PTGIR
SCHEMBL5655751 0.82 PTGIR (0.49) PTGIR
SCHEMBL5659624 0.81 PTGIR (0.50) PTGIR
SCHEMBL5656401 0.81 PTGIR (0.61) SMN1; SMN2LMNAMEN1KMT2APTGIR
SCHEMBL5658104 0.80 PTGIR (0.48) SMN1; SMN2LMNAMEN1KMT2APTGIR

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 NPC1 2964/4885RAB9A 2168/4885SMN1; SMN2 4654/4885

“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.