Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472384

SCHEMBL4472384

SCHEMBL4472384

N#Cc1c(NC2CCCC2)sc(C(=O)c2cc(C(=O)NC3CC3)no2)c1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.43
▸ RAB9A P51151 14/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ S1PR1 P21453 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MLLT1 Q03111 1/20 0.41
▸ MELK Q14680 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL4483218 0.90 MELK (0.46) NPC1RAB9ASMN1; SMN2TSHRMELK
SCHEMBL4476155 0.90 MELK (0.41) NPC1RAB9ASMN1; SMN2MELKALDH1A1
SCHEMBL4483228 0.89 MELK (0.40) NPC1RAB9ASMN1; SMN2MELKALDH1A1
SCHEMBL4475106 0.86 MELK (0.43) KMT2AMEN1SMN1; SMN2MELKALDH1A1
SCHEMBL4477072 0.85 MAPK1 (0.41) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4467466 0.84 SMN1; SMN2 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3816421 0.82 MELK (0.41) KMT2ASMN1; SMN2MELKALDH1A1CYP1A2
SCHEMBL3824051 0.82 USP30 (0.44) KMT2ASMN1; SMN2MELKALDH1A1LMNA
SCHEMBL4467624 0.81 USP30 (0.43) NPC1RAB9AS1PR1SMN1; SMN2MELK
SCHEMBL4475686 0.81 ALDH1A1 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 2068/4885RAB9A 1343/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A NPC1 2068/4885RAB9A 1343/4885KMT2A 2234/4885

“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.