SCHEMBL709560

SCHEMBL709560

C(=Cc1nnc(-c2ccccc2)o1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.61
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6568301 0.86 NPC1 (0.79) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL710016 0.81 NPC1 (0.54) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL710015 0.81 NPC1 (0.54) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL4876221 0.77 CYP11B1 (0.57) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL4876228 0.77 CYP11B1 (0.57) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL9778097 0.76 NPC1 (0.73) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL13197417 0.76 NPC1 (0.74) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL9268248 0.75 CYP11B2 (1.00) RAB9ANPC1KDM4ECYP11B1CYP11B2
SCHEMBL31668803 0.75 CYP11B2 (1.00) RAB9ANPC1KDM4ECYP11B1CYP11B2
SCHEMBL5496395 0.75 CYP11B2 (1.00) RAB9ANPC1KDM4ECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB RAB9A 4723/4885NPC1 19/4885HPGD 1023/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 RAB9A 4606/4885NPC1 48/4885HPGD 1630/4885

“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.