SCHEMBL3054809

SCHEMBL3054809

Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
TSHR P16473 2/20 0.33

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
SCHEMBL3852750 0.80 NPC1 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3044563 0.76 EGFR (0.35) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3040073 0.76 NPC1 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3044292 0.74 FGFR1 (0.36) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL3047128 0.73 NPC1 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3044301 0.72 ALDH1A1 (0.34) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3034828 0.72 GFER (0.32) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL3046537 0.71 FGFR1 (0.34) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3050515 0.69 FGFR1 (0.36) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL10139085 0.67 NPC1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 KDM4E 3474/4885ALDH1A1 3109/4885MAPT 1626/4885

“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.