SCHEMBL13033484

SCHEMBL13033484

Clc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 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
SCHEMBL13033471 0.93 KDM4E (0.52) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13033451 0.87 DRD4 (0.55) KDM4EALDH1A1HTR1ADRD2ADRA2C
SCHEMBL23652563 0.80 HSD17B10 (0.64) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13033438 0.79 DRD4 (0.55) KDM4EALDH1A1HTR1ADRD2ADRA2C
SCHEMBL13033490 0.78 DRD2 (0.55) KDM4EALDH1A1HTR1ADRD2DRD3
SCHEMBL13033469 0.78 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AHTR1A
SCHEMBL7085383 0.77 L3MBTL1 (0.73) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13033485 0.72 GRIN2B (0.52) KDM4EALDH1A1MAPK1DRD2SLC6A2
SCHEMBL13033472 0.72 DRD2 (0.54) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL18177903 0.72 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ACYP1A2

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO KDM4E 3170/4885ALDH1A1 2448/4885POLB 3273/4885

“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.