SCHEMBL19680073

SCHEMBL19680073

CCCC(=O)/C=C/c1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTH P32929 1/20 0.37
GBA1 P04062 1/20 0.37
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10072095 0.81 IAPP (0.53) IAPPRAB9ANPC1KDM4EALDH1A1
SCHEMBL1510820 0.77 CA12 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1510817 0.77 CA12 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1914087 0.76 KDM4E (0.50) RAB9ANPC1KDM4EALDH1A1TSHR
SCHEMBL1914082 0.76 KDM4E (0.50) RAB9ANPC1KDM4EALDH1A1TSHR
SCHEMBL17157997 0.72 MEN1 (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17157996 0.72 MEN1 (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16642332 0.71 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1L3MBTL1
SCHEMBL19900075 0.71 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1L3MBTL1
SCHEMBL30288729 0.71 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1L3MBTL1

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
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 US disclosed
US-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-12-07 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-20170348312-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED IAPP 4140/4885RAB9A 1415/4885NPC1 2908/4885

“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.