SCHEMBL1774137

SCHEMBL1774137

Cc1ccc(-c2csc(Br)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SREBF2 Q12772 2/20 0.58
LTA4H P09960 1/20 0.54
MAPT P10636 6/20 0.53
GFER P55789 1/20 0.53
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
AR P10275 1/20 0.49
ALOX5 P09917 1/20 0.49
AMY1A P0DUB6 1/20 0.49
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
NOTUM Q6P988 1/20 0.47
GSTO1 P78417 1/20 0.46

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
SCHEMBL3174725 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2KDM4ESREBF2
SCHEMBL2615402 0.81 GAA (0.65) RAB9ANPC1SMN1; SMN2KDM4ESREBF2
SCHEMBL28679988 0.79 LTA4H (0.66) RAB9ANPC1SMN1; SMN2KDM4ELTA4H
SCHEMBL3823252 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4ELTA4H
SCHEMBL3761118 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL231094 0.79 LTA4H (0.80) RAB9ANPC1SMN1; SMN2KDM4ESREBF2
SCHEMBL28327240 0.79 KDM4E (0.86) RAB9ANPC1SMN1; SMN2KDM4ESREBF2
SCHEMBL28673241 0.79 PTGS2 (0.50) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28931077 0.79 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KDM4ELTA4H
SCHEMBL2225468 0.78 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2KDM4ESREBF2

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
CN-113912595-A Compound containing thiazole or thiadiazole structure and application thereof 中国药科大学 2022-01-11 CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 RAB9A 4018/4885NPC1 3977/4885SMN1; SMN2 2425/4885

“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.