SCHEMBL3595499

SCHEMBL3595499

Cc1ccc2[nH]c(C(=O)NC3CCNC3)cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.46
KDR P35968 1/20 0.43
JAK2 O60674 1/20 0.43
TLR9 Q9NR96 5/20 0.43
TLR8 Q9NR97 5/20 0.43
TLR7 Q9NYK1 5/20 0.43
KDM1A O60341 2/20 0.41
MLLT1 Q03111 1/20 0.41
PARP1 P09874 1/20 0.40
HTR4 Q13639 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL3595497 1.00 SMYD3 (0.50) SMYD3RAB9ANPC1KDRJAK2
SCHEMBL3609261 0.93 RAB9A (0.52) SMYD3RAB9ANPC1TLR9TLR8
SCHEMBL3609263 0.93 RAB9A (0.52) SMYD3RAB9ANPC1TLR9TLR8
SCHEMBL3605671 0.86 SMYD3 (0.50) SMYD3RAB9AKDRJAK2KDM1A
SCHEMBL3605675 0.86 SMYD3 (0.50) SMYD3RAB9AKDRJAK2KDM1A
SCHEMBL3611578 0.86 SMYD3 (0.50) SMYD3RAB9AKDRJAK2KDM1A
SCHEMBL3607409 0.83 SETD2 (0.48) SMYD3KDM1A
SCHEMBL3607407 0.83 SETD2 (0.48) SMYD3KDM1A
SCHEMBL3601134 0.82 KDM4E (0.53) SMYD3RAB9ANPC1KDRKDM1A
SCHEMBL3601131 0.82 KDM4E (0.53) SMYD3RAB9ANPC1KDRKDM1A

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 3 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
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO 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 811/4885RAB9A 3211/4885NPC1 1710/4885

“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.