Sugi Predict

Sugi Predict / Compounds / SCHEMBL4469393

SCHEMBL4469393

SCHEMBL4469393

N#Cc1c(Nc2cccc([N+](=O)[O-])c2)sc(C(=O)c2ccccc2)c1N

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.72
▸ MAPT P10636 6/20 0.72
▸ GAA P10253 2/20 0.72
▸ KMT2A Q03164 4/20 0.67
▸ POLB P06746 3/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ LMNA P02545 6/20 0.63
▸ HPGD P15428 4/20 0.63
▸ HTT P42858 1/20 0.63
▸ ALOX12 P18054 1/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CCNA2 P20248 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL632022 0.85 ALDH1A1 (1.00) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4476980 0.81 ALDH1A1 (0.74) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL2133610 0.79 ALDH1A1 (0.65) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4509612 0.79 ALDH1A1 (0.86) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4476409 0.78 ALDH1A1 (0.77) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4465841 0.78 MAPT (0.84) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4477085 0.78 ALDH1A1 (1.00) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4465844 0.76 ALDH1A1 (0.80) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4496937 0.76 MAPT (0.80) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL4469348 0.76 ALDH1A1 (0.77) ALDH1A1MAPTGAAKMT2APOLB

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 8 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-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 ALDH1A1 802/4885MAPT 3524/4885GAA 77/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885MAPT 3524/4885GAA 77/4885

“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.