SCHEMBL9852227

SCHEMBL9852227

CNc1nc(-c2ccccc2)ns1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
SMN1; SMN2 Q16637 6/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ADORA3 P0DMS8 12/20 0.58
LMNA P02545 4/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
RXFP1 Q9HBX9 1/20 0.55
ADORA2A P29274 1/20 0.53

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
SCHEMBL25083904 0.83 MAPT (0.56) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL9688868 0.81 LMNA (0.54) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL25883843 0.81 CYP19A1 (0.61) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL10509734 0.81 NPC1 (0.66) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL9852166 0.80 NPC1 (0.61) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL12890452 0.80 SMN1; SMN2 (0.61) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL2210735 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL16254958 0.78 SMN1; SMN2 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9852174 0.77 ADORA3 (0.77) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL12268226 0.75 CYP1A2 (0.48) NPC1RAB9AMEN1KMT2ACASP3

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-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
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 EP 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 NPC1 503/4885RAB9A 534/4885MEN1 4742/4885

“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.