SCHEMBL22388784

SCHEMBL22388784

CC(C)(C)c1cnn(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
PRKDC P78527 1/20 0.42
MELK Q14680 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.38

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
SCHEMBL22388787 0.86 MAPT (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL22388781 0.85 MELK (0.58) MAPTALDH1A1KMT2AKDM4EMELK
SCHEMBL22388785 0.84 ADRB1 (0.47) LMNAALDH1A1KDM4EMELK
SCHEMBL20847696 0.80 MAPT (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL270272 0.78 MAPT (0.65) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL26365549 0.77 TSHR (0.45) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL16000561 0.77 MAPT (0.63) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL22466092 0.76 AKR1C3 (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL22388783 0.76 DRD4 (0.64) DRD2DRD4DRD3
SCHEMBL20273894 0.76 ALDH1A1 (0.47) MAPTLMNAALDH1A1MEN1KMT2A

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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 MAPT 4206/4885LMNA 2423/4885ALDH1A1 848/4885

“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.