SCHEMBL21153243

SCHEMBL21153243

Nc1ccc(-c2nc(-c3ccc(O[C@@H]4CCNC4)cc3)no2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.52
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR1 P21453 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL19968516 0.83 S1PR1 (0.51) NPC1RAB9ASMN1; SMN2ACHEBCHE
SCHEMBL23987478 0.83 S1PR1 (0.48) NPC1RAB9ASMN1; SMN2ACHEBCHE
SCHEMBL21153220 0.81 USP7 (0.57) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL4067092 0.80 PRKCZ (0.56) PRKCZCHRNB2CHRNA4
SCHEMBL7000861 0.80 PRKCZ (0.56) PRKCZCHRNB2CHRNA4
SCHEMBL3133920 0.80 PRKCZ (0.56) PRKCZCHRNB2CHRNA4
SCHEMBL21824914 0.80 HDAC4 (0.57)
SCHEMBL21824917 0.80 HDAC4 (0.57)
SCHEMBL21153244 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ACHEBCHE
Hydrochloric Acid SCHEMBL3127582 0.78 PRKCZ (0.54) PRKCZCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 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 (4 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-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 PRKCZ 4534/4885NPC1 1749/4885RAB9A 4715/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 PRKCZ 4534/4885NPC1 1749/4885RAB9A 4715/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 PRKCZ 4534/4885NPC1 1749/4885RAB9A 4715/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 PRKCZ 4534/4885NPC1 1749/4885RAB9A 4715/4885

“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.