SCHEMBL3606586

SCHEMBL3606586

COc1cc2cc(C(=O)NC3CCN(C)C3)[nH]c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
ROCK2 O75116 1/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 5/20 0.46
USP30 Q70CQ3 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GHSR Q92847 1/20 0.43
MLLT1 Q03111 1/20 0.42

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
SCHEMBL3606582 1.00 ACHE (0.52) ACHEBACE1ROCK2KMT2AMEN1
SCHEMBL3598549 0.84 KDM4E (0.59) KMT2AMEN1MLLT1
SCHEMBL3598547 0.84 KDM4E (0.59) KMT2AMEN1MLLT1
SCHEMBL3609392 0.81 HRH4 (0.58) KMT2AMEN1POLB
SCHEMBL3608650 0.81 HDAC3 (0.49) ACHEROCK2KMT2AMEN1POLB
SCHEMBL3609388 0.81 HRH4 (0.58) KMT2AMEN1POLB
SCHEMBL3608646 0.81 HDAC3 (0.49) ACHEROCK2KMT2AMEN1POLB
SCHEMBL3602723 0.81 GHSR (0.61) POLBGHSRMLLT1
SCHEMBL3602728 0.81 GHSR (0.61) POLBGHSRMLLT1
SCHEMBL3603886 0.80 HRH4 (0.56) ROCK2KMT2AMEN1POLBGHSR

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 ACHE 1813/4885BACE1 3608/4885ROCK2 544/4885

“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.