SCHEMBL3609484

SCHEMBL3609484

Cc1cc(C)c2cc(C(=O)NC3CCCN(C)C3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GHSR Q92847 4/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
PBK Q96KB5 1/20 0.42
SETD2 Q9BYW2 3/20 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
SCHEMBL3609483 1.00 KDM4E (0.49) KDM4EGHSRNPC1RAB9AMAPT
SCHEMBL3611120 0.93 KDM4E (0.51) KDM4EGHSRNPC1RAB9AMAPT
SCHEMBL3611123 0.93 KDM4E (0.51) KDM4EGHSRNPC1RAB9AMAPT
SCHEMBL17206277 0.91 KDM4E (0.49) KDM4EGHSRNPC1RAB9AMAPT
SCHEMBL17206183 0.86 KDM4E (0.53) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL19837635 0.86 KDM4E (0.57) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL15506757 0.85 TAS1R3 (0.59) KDM4ENPC1RAB9APOLBALDH1A1
SCHEMBL17206336 0.85 TAS1R3 (0.59) KDM4ENPC1RAB9APOLBALDH1A1
SCHEMBL17205073 0.85 TAS1R3 (0.59) KDM4ENPC1RAB9APOLBALDH1A1
SCHEMBL17206290 0.83 KDM4E (0.60) KDM4ENPC1RAB9AMAPTPOLB

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 963/4885GHSR 2639/4885NPC1 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.