SCHEMBL15513845

SCHEMBL15513845

NC(=NOC(=O)CCl)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
TSHR P16473 1/20 0.50
MC4R P32245 1/20 0.50
ADRA1A P35348 1/20 0.50
MC3R P41968 1/20 0.50
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12612180 1.00 ADORA3 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15504852 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15514845 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15504853 0.75 CYP1A2 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15513802 0.75 CYP1A2 (0.68) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL15513654 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12612162 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12611837 0.73 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29497634 0.73 SMN1; SMN2 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15514079 0.73 CYP1A2 (0.46) 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 ADORA3 2433/4885TSHR 2626/4885MC4R 3756/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 ADORA3 2433/4885TSHR 2626/4885MC4R 3756/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 ADORA3 2433/4885TSHR 2626/4885MC4R 3756/4885

“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.