SCHEMBL4288756

SCHEMBL4288756

ClCc1nc(-c2ccncc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.58
TSHR P16473 5/20 0.58
LMNA P02545 4/20 0.58
NR2F2 P24468 1/20 0.58
STAT3 P40763 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
RECQL P46063 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
CASP3 P42574 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL655414 0.83 NOTUM (0.68) S1PR1SMN1; SMN2TSHRRAB9ANPC1
SCHEMBL507782 0.81 NOTUM (0.72) SMN1; SMN2TSHRHTTRAB9ANPC1
SCHEMBL4521919 0.81 NOTUM (0.67) S1PR1SMN1; SMN2TSHRLMNANR2F2
SCHEMBL4522502 0.81 NOTUM (0.71) S1PR1SMN1; SMN2TSHRLMNANR2F2
SCHEMBL27657411 0.81 S1PR1 (0.61) S1PR1SMN1; SMN2TSHRLMNANR2F2
SCHEMBL201423 0.80 NOTUM (0.56) SMN1; SMN2TSHRLMNAHTTRAB9A
SCHEMBL10904042 0.80 SMN1; SMN2 (0.59) SMN1; SMN2TSHRLMNAHTTRAB9A
SCHEMBL12617891 0.80 NOTUM (0.64) S1PR1SMN1; SMN2TSHRRAB9ANPC1
SCHEMBL2107628 0.80 NPC1 (0.64) S1PR1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL10937283 0.80 SIRT2 (0.71) SMN1; SMN2TSHRLMNAHTTRAB9A

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 14 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-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-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-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-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-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
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
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
WO-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 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 (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 S1PR1 4382/4885SMN1; SMN2 3198/4885TSHR 2626/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 S1PR1 4382/4885SMN1; SMN2 3198/4885TSHR 2626/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 S1PR1 4382/4885SMN1; SMN2 3198/4885TSHR 2626/4885

“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.