SCHEMBL3606686

SCHEMBL3606686

Cc1c(F)ccc2cc(C(=O)N[C@@H]3CCN(C)C3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.45
SETD2 Q9BYW2 11/20 0.44
HRH4 Q9H3N8 3/20 0.44
NSD2 O96028 2/20 0.44
ROCK2 O75116 1/20 0.42
CYP2C8 P10632 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1B P28222 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
SYK P43405 1/20 0.41
MLLT1 Q03111 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
SCHEMBL3606689 1.00 SMYD3 (0.45) SMYD3SETD2HRH4NSD2ROCK2
SCHEMBL25531879 0.83 SMYD3 (0.43) SMYD3SETD2HRH4NSD2ROCK2
SCHEMBL3604285 0.82 SMYD3 (0.67) SMYD3SETD2HRH4NSD2SYK
SCHEMBL3604282 0.82 SMYD3 (0.67) SMYD3SETD2HRH4NSD2SYK
SCHEMBL3610017 0.82 SMYD3 (0.67) SMYD3SETD2HRH4NSD2SYK
SCHEMBL3611824 0.80 SMYD3 (0.47) SMYD3SETD2NSD2CYP2C8DRD2
SCHEMBL3611827 0.80 SMYD3 (0.47) SMYD3SETD2NSD2CYP2C8DRD2
SCHEMBL3611744 0.80 HRH4 (0.56) SMYD3SETD2HRH4NSD2SYK
SCHEMBL3611741 0.80 HRH4 (0.56) SMYD3SETD2HRH4NSD2SYK
SCHEMBL3608629 0.78 MLLT1 (0.69) SMYD3HRH4ROCK2MLLT1

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 SMYD3 811/4885SETD2 2175/4885HRH4 396/4885

“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.