SCHEMBL3047005

SCHEMBL3047005

Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR1 P11362 3/20 0.33
DRD1 P21728 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
BRD4 O60885 1/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL3044292 0.89 FGFR1 (0.36) ALDH1A1NPSR1MAPTKDM4ETSHR
SCHEMBL3044301 0.87 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTKDM4ETSHR
SCHEMBL3046969 0.86 DRD1 (0.35) FGFR1DRD1DRD2DRD4DRD5
SCHEMBL3044563 0.86 EGFR (0.35) ALDH1A1SMN1; SMN2FGFR1
SCHEMBL3046537 0.86 FGFR1 (0.34) ALDH1A1NPSR1MAPTKDM4ETSHR
SCHEMBL3044679 0.85 FGFR1 (0.45) ALDH1A1TSHRFGFR1DRD1DRD2
SCHEMBL3034828 0.84 GFER (0.32) ALDH1A1NPSR1MAPTKDM4ETSHR
SCHEMBL3047157 0.84 AKR1C3 (0.40) ALDH1A1MAPTKDM4EFGFR1DRD1
SCHEMBL3050515 0.84 FGFR1 (0.36) ALDH1A1NPSR1MAPTKDM4ETSHR
SCHEMBL3044219 0.84 DRD1 (0.35) FGFR1DRD1DRD2DRD4DRD5

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 ALDH1A1 3109/4885NPSR1 10/4885MAPT 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.