Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472754

SCHEMBL4472754

SCHEMBL4472754

Nc1c(C(=O)c2cc(-c3ccccc3)no2)sc(NC2CCCC2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ USP30 Q70CQ3 5/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL3816591 0.93 LMNA (0.40) KDM4ERAB9ANPC1ATMUSP30
SCHEMBL4484825 0.89 KDM4E (0.43) KDM4ERAB9ANPC1ATMUSP30
SCHEMBL4486946 0.89 KDM4E (0.41) KDM4ERAB9ANPC1ATMSMN1; SMN2
SCHEMBL4479273 0.86 KDM4E (0.43) KDM4ERAB9ANPC1ATMUSP30
SCHEMBL3824051 0.86 USP30 (0.44) KDM4EUSP30SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3818041 0.86 KDM4E (0.37) KDM4ERAB9ANPC1USP30S1PR1
SCHEMBL4467624 0.85 USP30 (0.43) KDM4ERAB9ANPC1USP30CCNA2
SCHEMBL13711688 0.83 KDM4E (0.39) KDM4ERAB9ANPC1ATMUSP30
SCHEMBL4476832 0.83 USP30 (0.46) KDM4ERAB9AUSP30SMN1; SMN2MEN1
SCHEMBL3816399 0.82 CHEK1 (0.41) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 — — 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A KDM4E 1483/4885RAB9A 1343/4885NPC1 2068/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A KDM4E 1483/4885RAB9A 1343/4885NPC1 2068/4885

“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.