SCHEMBL17347406

SCHEMBL17347406

CN(C)CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
PKM P14618 1/20 0.69
ALDH1A1 P00352 2/20 0.66
MAPK1 P28482 1/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM1A O60341 3/20 0.60
MAOA P21397 2/20 0.60
HTR6 P50406 1/20 0.59
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
AKR1C3 P42330 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
EGFR P00533 1/20 0.53
FGFR1 P11362 1/20 0.53
KDR P35968 1/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL17347402 0.84 KDM1A (0.61) LMNAMEN1KMT2AKDM1AMAOA
SCHEMBL17347409 0.81 ALDH1A1 (0.64) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL8367822 0.81 KDM1A (0.60) LMNAALDH1A1MEN1KMT2AKDM1A
SCHEMBL24164529 0.79 LMNA (0.59) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL9616678 0.79 LMNA (0.68) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL27723355 0.79 KDM1A (0.76) ALDH1A1MEN1KMT2AKDM1AMAOA
SCHEMBL10963817 0.78 ACHE (0.54) LMNAPKMMEN1KMT2AKDM1A
SCHEMBL5779765 0.78 LMNA (0.58) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL27180159 0.78 MAPT (0.76) LMNAPKMALDH1A1MEN1KMT2A
SCHEMBL2087431 0.77 ALDH1A1 (0.62) LMNAALDH1A1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA LMNA 4379/4885PKM 2410/4885ALDH1A1 4655/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D LMNA 3947/4885PKM 1747/4885ALDH1A1 4/4885

“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.