SCHEMBL9956419

SCHEMBL9956419

Cc1csc(N(C)C(=O)Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC12A5 Q9H2X9 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 2/20 0.40
GRM1 Q13255 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13653784 0.83 NPC1 (0.54) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL9955496 0.83 SLC12A5 (0.49) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL23723568 0.81 SLC12A5 (0.48) SLC12A5CYP2D6NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL27945128 0.80 SLC12A5 (0.41) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL23723506 0.77 SLC12A5 (0.48) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL23723505 0.75 SLC12A5 (0.46) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL13653791 0.75 KDM4E (0.49) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL23662174 0.75 PAX8 (0.40) SLC12A5CYP2D6NPC1RAB9AKDM4E
SCHEMBL770846 0.73
SCHEMBL24074062 0.73 KDM4E (0.42) SLC12A5CYP2D6NPC1RAB9AKDM4E

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
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SLC12A5 2125/4885CYP2D6 2032/4885NPC1 1253/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SLC12A5 2125/4885CYP2D6 2032/4885NPC1 1253/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG SLC12A5 2125/4885CYP2D6 2032/4885NPC1 1253/4885

“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.