SCHEMBL20175852

SCHEMBL20175852

OC(CBr)c1cc(NCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
BLM P54132 3/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.48
THRB P10828 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.46
MAOB P27338 2/20 0.45
MRGPRX1 Q96LB2 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARA Q07869 4/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3923237 0.85 KMT2A (0.53) MEN1KMT2AMAOBLMNASGMS2
SCHEMBL13840614 0.85 KMT2A (0.53) MEN1KMT2AMAOBLMNASGMS2
SCHEMBL9967892 0.79 GRM5 (0.47) MEN1KMT2AMAOBLMNABCHE
SCHEMBL3443080 0.78 KMT2A (0.58) MEN1KMT2AMAOBLMNASGMS2
SCHEMBL8482579 0.75 LMNA (0.58) MAPTGAARAB9AL3MBTL1MAOB
SCHEMBL8481818 0.75 LMNA (0.58) MAPTGAARAB9AL3MBTL1MAOB
SCHEMBL11271196 0.74 MAPT (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5310163 0.72 MEN1 (0.68) MEN1KMT2AMAPTBLMGAA
SCHEMBL7145799 0.71 KMT2A (0.53) MEN1KMT2AMAPTGAARAB9A
SCHEMBL10477884 0.71 KMT2A (0.53) MEN1KMT2AMAPTGAARAB9A

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-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2018-05-24 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 (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-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 MEN1 4799/4885KMT2A 4127/4885MAPT 3668/4885

“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.