SCHEMBL3878438

SCHEMBL3878438

O=C(Nc1ccc2cccnc2c1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
TRPV1 Q8NER1 3/20 0.68
NPC1 O15118 10/20 0.63
RAB9A P51151 10/20 0.63
KDM4E B2RXH2 1/20 0.63
PABPC1 P11940 1/20 0.63
DEGS1 O15121 1/20 0.61
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.59
TP53 P04637 1/20 0.58
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP8 Q96LD8 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ENPP2 Q13822 1/20 0.56
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL3881090 0.90 MEN1 (0.83) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL7101847 0.89 PABPC1 (0.79) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL4428905 0.86 TRPV1 (0.76) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6363418 0.86 MEN1 (0.70) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL27703253 0.86 MEN1 (0.65) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL3890282 0.85 MEN1 (1.00) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13998319 0.85 MEN1 (0.76) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL3881722 0.84 TRPV1 (0.63) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13863923 0.84 MEN1 (0.71) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL4434589 0.84 MEN1 (0.63) MEN1KMT2ATRPV1NPC1RAB9A

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-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MEN1 3499/4885KMT2A 3902/4885TRPV1 1/4885

“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.