SCHEMBL22080077

SCHEMBL22080077

COc1ccc(Nc2nc(N)c3ccccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.72
RAB9A P51151 7/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 6/20 0.72
MAPK1 P28482 3/20 0.72
TP53 P04637 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
MEN1 O00255 3/20 0.72
ALDH1A1 P00352 3/20 0.72
PKM P14618 3/20 0.72
NPY5R Q15761 1/20 0.71
TAAR1 Q96RJ0 4/20 0.70
ALOX15 P16050 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
MERTK Q12866 4/20 0.69
LMNA P02545 3/20 0.69
POLB P06746 3/20 0.67

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
SCHEMBL24169332 0.85 RAB9A (0.97) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL14758331 0.85 SLC2A1 (0.68) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL4486503 0.85 NPC1 (0.96) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL29357942 0.85 NPC1 (0.96) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL2590796 0.84 NPY5R (0.97) NPC1RAB9AKMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL31087716 0.84 RAB9A (1.00) NPC1RAB9AKMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL25284090 0.84 RAB9A (1.00) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL21500665 0.84 NPC1 (0.77) NPC1RAB9AKMT2AMAPTMAPK1
SCHEMBL8909187 0.83 NPY5R (1.00) NPC1RAB9AKMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL8897702 0.83 NPY5R (0.94) NPC1RAB9AKMT2AMAPTMAPK1

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-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-27 US disclosed
WO-2020118036-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-06-11 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-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CLPP, SPOUT1, MRPL21 NPC1 1188/4885RAB9A 1651/4885KMT2A 4413/4885

“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.