SCHEMBL16169751

SCHEMBL16169751

CC(=N)NCCc1cc(CCNC(=N)N)cc(-c2ccc(-c3cccc(-c4ccc(-c5cc(CCNC(=N)N)cc(CCNC(=N)N)c5)s4)c3)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.39
▸ HPGDS O60760 3/20 0.36
▸ HSD17B1 P14061 6/20 0.35
▸ HSD17B2 P37059 6/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ ITGA5 P08648 2/20 0.34
▸ ITGB5 P18084 2/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ CHUK O15111 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL15805958 0.94 NQO2 (0.41) NQO2HPGDSHSD17B1HSD17B2EPHX2
SCHEMBL15805912 0.90 EPHX2 (0.37) NQO2HPGDSHSD17B1HSD17B2EPHX2
SCHEMBL16169667 0.88 NQO2 (0.37) NQO2HPGDSHSD17B1HSD17B2EPHX2
SCHEMBL16169745 0.87 MTNR1A (0.37) CYP2D6
SCHEMBL15139160 0.86 NQO2 (0.43) NQO2HPGDSHSD17B1HSD17B2EPHX2
SCHEMBL16603498 0.84 NQO2 (0.40) NQO2
SCHEMBL15138993 0.80 NOS1 (0.39) CYP2D6
SCHEMBL15275016 0.79 F10 (0.43) CYP2D6
SCHEMBL16603473 0.78 F10 (0.38) NQO2
SCHEMBL16603474 0.77 IKBKB (0.36) NQO2HPGDSEPHX2IKBKBCHUK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 — — 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 NQO2 2700/4885HPGDS 141/4885HSD17B1 3931/4885

“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.

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