SCHEMBL22458087

SCHEMBL22458087

CCCCN[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccn(C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
EPHX2 P34913 2/20 0.40
LMNA P02545 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
CTSK P43235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 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
SCHEMBL22441315 0.85 TP53 (0.53) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL22441316 0.85 TP53 (0.53) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL22458106 0.83 GRM4 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL22457601 0.77 ROCK1 (0.45) EPHX2LMNAMTNR1AMTNR1BLPAR3
SCHEMBL22457586 0.76 CTSK (0.56) MEN1KMT2AKDM4EEPHX2MTNR1A
SCHEMBL22458110 0.76 PKM (0.48) KDM4EHSD17B10LMNAALDH1A1MAPT
SCHEMBL22457745 0.75 TAS1R3 (0.49) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL22457891 0.74 POLB (0.52) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL22458123 0.73 RAB9A (0.45) SMN1; SMN2NPC1RAB9AEPHX2LMNA
SCHEMBL24177409 0.71 ALDH1A1 (0.48) SMN1; SMN2TP53MEN1KMT2ANPC1

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-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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 (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-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 SMN1; SMN2 2416/4885TP53 106/4885MEN1 1772/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 SMN1; SMN2 2416/4885TP53 106/4885MEN1 1772/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 SMN1; SMN2 2416/4885TP53 106/4885MEN1 1772/4885

“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.