SCHEMBL13629412

SCHEMBL13629412

CCc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.46
MCL1 Q07820 1/20 0.46
BRD4 O60885 1/20 0.46
SLC40A1 Q9NP59 2/20 0.44
METAP2 P50579 1/20 0.44
CYTH2 Q99418 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CCR2 P41597 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.40
HTT P42858 1/20 0.40
IDH1 O75874 1/20 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
SCHEMBL13852965 0.85 BRD4 (0.52) ALDH1A1LMNAGAAMCL1BRD4
SCHEMBL13852963 0.81 PKM (0.54) ALDH1A1LMNASLC40A1METAP2NPC1
SCHEMBL13629419 0.79 NPC1 (0.49) ALDH1A1METAP2NPC1RAB9ATP53
SCHEMBL13852970 0.79 ALDH1A1 (0.60) ALDH1A1GAAMETAP2NPC1RAB9A
SCHEMBL13615292 0.79 MCL1 (0.57) ALDH1A1LMNAMCL1SLC40A1CYTH2
SCHEMBL13853043 0.78 MCL1 (0.50) GAAMCL1SLC40A1TP53IDH1
SCHEMBL13629407 0.78 NHERF1 (0.62) ALDH1A1LMNAMCL1BRD4MAPT
SCHEMBL2760277 0.76 MAPT (0.55) ALDH1A1LMNAMETAP2NPC1RAB9A
SCHEMBL13852947 0.75 NPC1 (0.58) ALDH1A1LMNAGAAMETAP2CYTH2
SCHEMBL16325840 0.74 SLC22A12 (0.47) BRD4NPC1RAB9APTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 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 (1 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK ALDH1A1 2121/4885LMNA 2608/4885GAA 3313/4885

“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.