SCHEMBL15514845

SCHEMBL15514845

NC(=NOC(=O)CCl)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.68
RAB9A P51151 9/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
TP53 P04637 1/20 0.68
KDM4E B2RXH2 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 1/20 0.63
PKM P14618 3/20 0.62
MITF O75030 2/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.61
MEN1 O00255 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL15504852 1.00 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15513654 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12612162 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL7032483 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15513845 0.79 ADORA3 (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12612180 0.79 ADORA3 (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL13171376 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15504851 0.76 TDP1 (0.60) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL15514419 0.76 TDP1 (0.60) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL13171377 0.73 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53KDM4E

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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 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 (3 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 NPC1 2728/4885RAB9A 3319/4885SMN1; SMN2 3198/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 NPC1 2728/4885RAB9A 3319/4885SMN1; SMN2 3198/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 NPC1 2728/4885RAB9A 3319/4885SMN1; SMN2 3198/4885

“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.