SCHEMBL2125667

SCHEMBL2125667

CCC(C(=O)O)n1c(-c2ccccc2)cc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ NTSR1 P30989 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35

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
SCHEMBL23320469 0.84 NTSR1 (0.40) KDM4ENTSR1L3MBTL1MAOAMAOB
SCHEMBL2124479 0.81 CYP19A1 (0.64) L3MBTL1POLBCYP19A1KMT2AALDH1A1
SCHEMBL2124481 0.81 CYP19A1 (0.64) L3MBTL1POLBCYP19A1KMT2AALDH1A1
SCHEMBL2418905 0.79 ALDH1A1 (0.40) KDM4EL3MBTL1MAOAMAOBCYP19A1
SCHEMBL2421377 0.74 KMT2A (0.66) KDM4ECYP19A1GRIK1GRIK2KMT2A
SCHEMBL2421447 0.74 GRIK1 (0.65) KDM4EL3MBTL1GRIK1GRIK2KMT2A
SCHEMBL3844342 0.73 L3MBTL1 (0.71) KDM4EL3MBTL1GRIK1GRIK2KMT2A
SCHEMBL2122716 0.72 ALDH1A1 (0.58) KDM4EL3MBTL1CYP19A1GRIK1GRIK2
SCHEMBL27848412 0.72 TDP1 (0.53) KDM4EL3MBTL1GRIK1GRIK2KMT2A
SCHEMBL27848413 0.72 GRIK1 (0.38) KDM4EL3MBTL1MAOAMAOBGRIK1

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
EP-2444392-A1 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2012-04-25 — — EP disclosed
US-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR Aziende Chim. Riun.Ang.Franc. A.C.R.A.F.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-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 KDM4E 488/4885NTSR1 1625/4885L3MBTL1 4334/4885

“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.

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