SCHEMBL22152003

SCHEMBL22152003

CC(=O)OCCn1cnc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.44
ADORA2B P29275 1/20 0.44
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL5695836 0.82 MEN1 (0.61) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL502049 0.81 SMN1; SMN2 (0.66) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL15205271 0.80 TNF (0.52) MTNR1AMTNR1BLMNAALDH1A1MCL1
SCHEMBL11334203 0.78 MEN1 (0.47) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL15205593 0.78 LMNA (0.46) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL15205558 0.78 EGLN3 (0.64) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL17263174 0.77 TDP1 (0.44) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL29463886 0.77 TDP1 (0.44) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL31473662 0.77 MEN1 (0.51) MTNR1AMTNR1BLMNASMN1; SMN2HTT
SCHEMBL27038040 0.77 MEN1 (0.51) MTNR1AMTNR1BLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS MTNR1A 4770/4885MTNR1B 4699/4885LMNA 4074/4885

“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.