SCHEMBL4883027

SCHEMBL4883027

Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1R1 P14778 1/20 0.47
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CYP11B2 P19099 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
USP14 P54578 1/20 0.39
PTGS1 P23219 2/20 0.38

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
SCHEMBL4884443 0.94 L3MBTL1 (0.47) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL14269540 0.81 L3MBTL1 (0.50) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL13335095 0.81 KDM4E (0.50) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL12494290 0.81 IL1R1 (0.43) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL10021263 0.80 L3MBTL1 (0.38) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL11986652 0.79 PIK3CA (0.39) GRIA1CACNG8CACNG2PTGS1PTGS2
SCHEMBL11986680 0.79 L3MBTL1 (0.49) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL22403986 0.78 L3MBTL1 (0.52) IL1R1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL14269636 0.76 MGAM (0.41) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL22403988 0.76 KDM4E (0.45) IL1R1KMT2AL3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN IL1R1 4629/4885KMT2A 3795/4885L3MBTL1 388/4885

“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.