SCHEMBL3598547

SCHEMBL3598547

COc1ccc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
HRH4 Q9H3N8 1/20 0.57
MAPT P10636 7/20 0.57
ALDH1A1 P00352 5/20 0.57
PYGL P06737 1/20 0.55
PYGM P11217 1/20 0.55
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
AKR1C3 P42330 1/20 0.52
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 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
SCHEMBL3598549 1.00 KDM4E (0.59) KDM4EHRH4MAPTALDH1A1PYGL
SCHEMBL3602728 0.85 GHSR (0.61) HRH4PYGLPYGMAKR1C3NPC1
SCHEMBL3602723 0.85 GHSR (0.61) HRH4PYGLPYGMAKR1C3NPC1
SCHEMBL3606586 0.84 ACHE (0.52) KMT2AMEN1MLLT1
SCHEMBL3606582 0.84 ACHE (0.52) KMT2AMEN1MLLT1
SCHEMBL3608632 0.84 MLLT1 (0.69) KDM4EHRH4ALDH1A1PYGLPYGM
SCHEMBL3603891 0.84 HRH4 (0.56) HRH4PYGLPYGMKMT2AMEN1
SCHEMBL3608941 0.84 SMYD3 (0.65) HRH4PYGLPYGM
SCHEMBL3608944 0.84 SMYD3 (0.65) HRH4PYGLPYGM
SCHEMBL3608629 0.84 MLLT1 (0.69) KDM4EHRH4ALDH1A1PYGLPYGM

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT KDM4E 963/4885HRH4 396/4885MAPT 3376/4885

“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.