Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476598

SCHEMBL4476598

SCHEMBL4476598

N#Cc1c(NCc2cccc(Cl)c2)sc(C(=O)c2cc(-c3ccccc3)no2)c1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MELK Q14680 6/20 0.42
▸ MAPT P10636 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL4479712 0.92 ALDH1A1 (0.48) ALDH1A1KDM4ELMNANPSR1CYP1A2
SCHEMBL4506786 0.88 MAPT (0.43) ALDH1A1KDM4ECYP1A2CYP2C19CYP3A4
SCHEMBL4468601 0.83 MELK (0.48) ALDH1A1KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL4475531 0.82 USP30 (0.47) ALDH1A1LMNACYP1A2CYP2C19KMT2A
SCHEMBL4472104 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ELMNACYP1A2CYP2C19
SCHEMBL4480757 0.79 MELK (0.63) ALDH1A1LMNACYP1A2CYP2C19POLB
SCHEMBL4476832 0.79 USP30 (0.46) ALDH1A1KDM4ELMNACYP1A2CYP2C19
SCHEMBL4484019 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ELMNACYP1A2CYP2C19
SCHEMBL4473949 0.79 MELK (0.50) ALDH1A1KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL4475891 0.78 MELK (0.51) ALDH1A1KDM4ENPSR1CYP1A2CYP2C19

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 ALDH1A1 802/4885KDM4E 1483/4885LMNA 2349/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885KDM4E 1483/4885LMNA 2349/4885

“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.