SCHEMBL3609307

SCHEMBL3609307

COc1cc(OC)c2cc(C(=O)NC3CCCN(C)C3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
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
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HCRTR1 O43613 1/20 0.46
GLA P06280 1/20 0.46
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL3609304 1.00 CHRNB2 (0.48) CHRNB2CHRNA4HDAC3HDAC4HDAC1
SCHEMBL3608646 0.94 HDAC3 (0.49) CHRNB2CHRNA4HDAC3HDAC4HDAC1
SCHEMBL3608650 0.94 HDAC3 (0.49) CHRNB2CHRNA4HDAC3HDAC4HDAC1
SCHEMBL17209764 0.86 KMT2A (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17209752 0.86 KMT2A (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3601144 0.81 MAPK1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3601142 0.81 MAPK1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3609388 0.79 HRH4 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3609392 0.79 HRH4 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3609484 0.79 KDM4E (0.49) KDM4EMAPTNPC1RAB9APOLB

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 CHRNB2 743/4885CHRNA4 856/4885HDAC3 60/4885

“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.