SCHEMBL20989077

SCHEMBL20989077

O=C(NCC(F)(F)F)C1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CACNA1G O43497 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL20989266 0.88 HPGD (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29532260 0.83 NPC1 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20989092 0.81 MEN1 (0.56) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20989104 0.80 MEN1 (0.53) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20988927 0.80 POLB (0.66) KMT2AALDH1A1LMNAPOLBTDP1
SCHEMBL29532316 0.79 SMN1; SMN2 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20989106 0.78 CACNA1G (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29532384 0.78 SMN1; SMN2 (0.52) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL17946327 0.78 HTT (0.72) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL20989273 0.77 KMT2A (0.50) MEN1KMT2AKDM4EMAPTALDH1A1

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS MEN1 1465/4885KMT2A 2604/4885KDM4E 4410/4885

“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.