SCHEMBL3844342

SCHEMBL3844342

Nc1ccc2c(c1)cc(-c1ccccc1)n2CC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.52
NR1I2 O75469 1/20 0.47
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
NTRK1 P04629 2/20 0.45
CCR2 P41597 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
NTRK3 Q16288 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KRAS P01116 1/20 0.42
APEX1 P27695 1/20 0.41

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
SCHEMBL30323658 0.85 KMT2A (0.53) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL23320470 0.85 KMT2A (0.53) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL27848412 0.83 TDP1 (0.53) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL6689677 0.83 L3MBTL1 (1.00) L3MBTL1KMT2AALDH1A1KDM4EHPGD
SCHEMBL17680501 0.83 L3MBTL1 (0.71) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL2122716 0.81 ALDH1A1 (0.58) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL2421447 0.81 GRIK1 (0.65) L3MBTL1KMT2AALDH1A1NR1I2KDM4E
SCHEMBL3660283 0.79 L3MBTL1 (0.64) L3MBTL1KMT2AALDH1A1NR1I2CCR2
SCHEMBL2123823 0.78 ALDH1A1 (0.48) L3MBTL1KMT2AALDH1A1NR1I2GRIK1
SCHEMBL1251025 0.78 CCR2 (0.47) L3MBTL1KMT2AALDH1A1KDM4ECCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 EP disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 US disclosed
US-8871948-B2 (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) 2014-10-28 US disclosed
EP-2444392-B1 Intermediary (aza)indole derivative substituted in position 5 ACRAF (IT) 2014-09-24 EP disclosed
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR AZIENDE CHIMICHE RIUNITE ANGELIN FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-06-20 US disclosed
EP-2234968-B1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR ACRAF (IT) 2013-03-27 EP disclosed
US-8399477-B2 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESO A.C.R.A.F. S.P.A. (IT) 2013-03-19 US disclosed
EP-2078711-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) 2009-07-15 EP 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 (3 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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT L3MBTL1 2798/4885KMT2A 1162/4885ALDH1A1 1751/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT L3MBTL1 2798/4885KMT2A 1162/4885ALDH1A1 1751/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 L3MBTL1 4334/4885KMT2A 1124/4885ALDH1A1 582/4885

“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.