SCHEMBL3448272

SCHEMBL3448272

O=C(O)c1cc(Br)cnc1OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.49
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
KMO O15229 2/20 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
SCHEMBL3448673 0.87 OPRK1 (0.50) ALDH1A1MAPTHTTPOLBSMN1; SMN2
SCHEMBL25173432 0.77 CA12 (0.51) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL21570189 0.76 MEN1 (0.50) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL3451828 0.76 CNR2 (0.44) ALDH1A1POLBKDM4ETSHRKMT2A
SCHEMBL21712209 0.75 POLB (0.51) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL31481588 0.74 CNR2 (0.43) ALDH1A1POLBKDM4ETSHRKMT2A
SCHEMBL7295963 0.74 ALDH1A1 (0.49) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL21513138 0.73 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL29970202 0.73 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL1505065 0.73 CNR2 (0.48) ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ALDH1A1 530/4885MAPT 3947/4885HTT 3861/4885

“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.