SCHEMBL13258461

SCHEMBL13258461

OCc1cccc2c(CCNc3ccc(Nc4ccnc5c4CCC5O)cc3)c[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.32
HRH3 Q9Y5N1 4/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 2/20 0.30
SPR P35270 1/20 0.30
PTGS1 P23219 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12845707 0.86 HRH3 (0.46) PTGS2HRH3MAPTMAPK1HTR1A
SCHEMBL12845325 0.86 HRH3 (0.46) PTGS2HRH3MAPTMAPK1HTR1A
SCHEMBL12554173 0.86 HRH3 (0.46) PTGS2HRH3MAPTMAPK1HTR1A
SCHEMBL15267551 0.86 HTT (0.41) PTGS2LMNAMAPTHTTSMN1; SMN2
SCHEMBL15267542 0.85 EGFR (0.33) PTGS2
SCHEMBL12810915 0.84 EGFR (0.33) USP2ALOX15MEN1KMT2A
SCHEMBL8075495 0.82 HTR2A (0.36) PTGS2MAPTSMN1; SMN2HTR1APTGS1
SCHEMBL13130737 0.82 HTR2A (0.36) PTGS2MAPTSMN1; SMN2HTR1APTGS1
SCHEMBL19114061 0.82 BCHE (0.32) PTGS2
SCHEMBL12845423 0.81 HRH3 (0.46) PTGS2HRH3MAPK1SMN1; SMN2HTR1A

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
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO 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-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT PTGS2 686/4885HRH3 2218/4885LMNA 3710/4885

“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.