SCHEMBL207522

SCHEMBL207522

COc1ccc(NC(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
RAB9A P51151 7/20 0.67
NPC1 O15118 5/20 0.67
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 2/20 0.64
ADORA3 P0DMS8 1/20 0.64
ALOX12 P18054 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CSNK2A1 P68400 2/20 0.62
POLB P06746 1/20 0.62
GAA P10253 2/20 0.61
PKM P14618 1/20 0.61
VCP P55072 1/20 0.61
IRAK4 Q9NWZ3 1/20 0.61
ALOX5 P09917 1/20 0.60

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
SCHEMBL24107409 0.90 ADORA3 (0.79) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL206542 0.89 MEN1 (0.78) SMN1; SMN2ALDH1A1TDP1RAB9ANPC1
SCHEMBL717529 0.87 ABL1 (0.69) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL5449589 0.83 ABL1 (0.63) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL4077558 0.82 NPC1 (0.68) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL2705564 0.82 KMT2A (0.62) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL206539 0.82 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1KDM4ETDP1RAB9A
SCHEMBL4897346 0.82 ABL1 (0.67) KMT2APOLB
SCHEMBL14082507 0.81 POLB (0.79) SMN1; SMN2KDM4ETDP1RAB9ANPC1
SCHEMBL206986 0.81 RAB9A (0.87) SMN1; SMN2TDP1RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885ALDH1A1 109/4885KDM4E 2649/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885ALDH1A1 109/4885KDM4E 2649/4885

“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.