SCHEMBL2511571

SCHEMBL2511571

COc1ccc2nc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.72
NPC1 O15118 7/20 0.72
RAB9A P51151 7/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
HSD17B10 Q99714 2/20 0.60
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL31001 0.86 SCD (0.76) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2480549 0.85 SCD (0.74) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2193173 0.85 NPC1 (0.55) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL12199354 0.84 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL10064451 0.84 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2480611 0.84 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31243 0.83 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2482848 0.83 SCD (0.70) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16681363 0.82 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4918742 0.82 SCD (0.86) SCDNPC1RAB9AMEN1KMT2A

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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 SCD 2053/4885NPC1 473/4885RAB9A 2966/4885

“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.