SCHEMBL15513802

SCHEMBL15513802

NC(=NOC(=O)CCl)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
LMNA P02545 3/20 0.67
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 1/20 0.66
GLA P06280 1/20 0.65
HTT P42858 2/20 0.63
KMT2A Q03164 1/20 0.63
RAB9A P51151 2/20 0.62
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL15504853 1.00 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12611837 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15514079 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15514385 0.81 LMNA (0.66) LMNAALDH1A1MAPTKMT2ARAB9A
SCHEMBL15504854 0.81 LMNA (0.66) LMNAALDH1A1MAPTKMT2ARAB9A
SCHEMBL9231501 0.81 RAB9A (0.74) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL15514419 0.81 TDP1 (0.60) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL15504851 0.81 TDP1 (0.60) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL12612180 0.75 ADORA3 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15513845 0.75 ADORA3 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 2569/4885CYP3A4 1630/4885CYP2D6 2717/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 CYP1A2 2569/4885CYP3A4 1630/4885CYP2D6 2717/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 CYP1A2 2569/4885CYP3A4 1630/4885CYP2D6 2717/4885

“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.