SCHEMBL20549647

SCHEMBL20549647

N=C(N)NC(=O)CC1(S(=O)(=O)c2ccccc2)CCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC9 Q9UKV0 1/20 0.34
AKR1B1 P15121 2/20 0.33
KDM1A O60341 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL314642 0.85 GAA (0.39) GAALMNAMAPTHDAC9AKR1B1
SCHEMBL315713 0.82 GAA (0.41) GAALMNAMAPTHDAC9AKR1B1
SCHEMBL315731 0.80 AKR1B1 (0.38) HDAC9AKR1B1KDM5AKDM4CKDM5B
SCHEMBL316500 0.75 GAA (0.41) GAAAKR1B1KDM1AMCOLN3MAPK1
Hydrochloric Acid SCHEMBL314663 0.74 GAA (0.40) GAAAKR1B1KDM1AMCOLN3MAPK1
SCHEMBL315609 0.73 KDM1A (0.43) GAAAKR1B1KDM1AMCOLN3MAPK1
SCHEMBL315669 0.72 GAA (0.42) GAAHDAC9AKR1B1KDM1AMCOLN3
SCHEMBL315173 0.72 GAA (0.42) GAAHDAC9AKR1B1KDM1AMCOLN3
SCHEMBL316150 0.70 LMNA (0.42) GAALMNAAKR1B1KDM1AMCOLN3
SCHEMBL314981 0.70 GAA (0.38) GAAAKR1B1MCOLN3MAPK1MEN1

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-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2018-11-08 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-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 GAA 3729/4885LMNA 2964/4885MAPT 145/4885

“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.