SCHEMBL710123

SCHEMBL710123

C(/C=C/c1ccccn1)=C\c1ccc2nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.56
KDM4E B2RXH2 3/20 0.52
HDAC1 Q13547 1/20 0.49
SNCA P37840 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
PRKCI P41743 1/20 0.41
MAPT P10636 2/20 0.41
RAD52 P43351 1/20 0.41
QPCT Q16769 3/20 0.40
QPCTL Q9NXS2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL710124 1.00 IP6K1 (0.56) IP6K1KDM4EHDAC1SNCARAB9A
SCHEMBL30050466 0.79 IP6K1 (0.63) IP6K1KDM4EHDAC1RAB9AMEN1
SCHEMBL10817405 0.79 IP6K1 (0.63) IP6K1KDM4EHDAC1RAB9AMEN1
SCHEMBL14972936 0.79 IP6K1 (0.63) IP6K1KDM4EHDAC1RAB9AMEN1
SCHEMBL709591 0.77 CYP2A6 (0.47) IP6K1SNCARAB9ANPC1MEN1
SCHEMBL709590 0.77 CYP2A6 (0.47) IP6K1SNCARAB9ANPC1MEN1
SCHEMBL709275 0.75 NPC1 (0.59) IP6K1KDM4ERAB9ANPC1MEN1
SCHEMBL709276 0.75 NPC1 (0.59) IP6K1KDM4ERAB9ANPC1MEN1
SCHEMBL711010 0.74 CYP2A6 (0.47) IP6K1SNCARAB9ANPC1MEN1
SCHEMBL711011 0.74 CYP2A6 (0.47) IP6K1SNCARAB9ANPC1MEN1

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 IP6K1 4402/4885KDM4E 4415/4885HDAC1 395/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 IP6K1 4095/4885KDM4E 4647/4885HDAC1 503/4885

“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.