SCHEMBL710015

SCHEMBL710015

COc1cccc(-c2nnc(/C=C/c3cccnc3)o2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 4/20 0.52
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
KDM4E B2RXH2 6/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
DAPK3 O43293 1/20 0.50
NFE2L2 Q16236 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL710016 1.00 NPC1 (0.54) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL709560 0.81 RAB9A (0.61) NPC1RAB9AALDH1A1CYP1A2KDM4E
SCHEMBL1423305 0.81 NPC1 (0.74) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL21776863 0.77 KDM4E (0.68) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL1181062 0.75 KDM4E (0.78) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL2357334 0.72 NPC1 (0.76) NPC1RAB9AALDH1A1LMNAHTT
Trifluoroacetic Acid SCHEMBL3634061 0.71 KDM4E (0.58) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL16944466 0.71 KDM4E (0.64) NPC1RAB9AALDH1A1CYP1A2KDM4E
SCHEMBL18134059 0.71 CYP1A1 (0.65) CYP1A2CYP1A1CYP1B1CYP3A4NFE2L2
SCHEMBL31049960 0.71 CYP1A1 (0.65) CYP1A2CYP1A1CYP1B1CYP3A4NFE2L2

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 2 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-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 (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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885ALDH1A1 1967/4885

“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.