SCHEMBL12890482

SCHEMBL12890482

CC(C)Nc1nc(-c2ccccc2)nn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.54
NR1H2 P55055 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ACP1 P24666 1/20 0.46
KDM4C Q9H3R0 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP2 O95551 1/20 0.42
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL12909523 0.81 NR1H3 (0.59) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL10139034 0.79 NR1H3 (0.58) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL15031131 0.75 NR1H3 (0.53) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL10138490 0.72 NR1H3 (0.53) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL822566 0.71 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL16202035 0.71 NR1H3 (0.71) NR1H3NR1H2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL29485547 0.70 NR1H3 (0.54) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL12890478 0.70 NR1H2 (0.54) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL10119720 0.70 MAPT (0.58) NR1H3NR1H2NPC1RAB9AKMT2A
SCHEMBL14554797 0.69 NR1H3 (0.63) NR1H3NR1H2NPC1RAB9AKMT2A

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-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 NR1H3 2793/4885NR1H2 2806/4885NPC1 503/4885

“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.