SCHEMBL16178494

SCHEMBL16178494

COc1cccc(NC(=O)N2CCNCC2C)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
LIMK2 P53671 1/20 0.52
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CHRNA7 P36544 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL16177977 0.85 CHRNA7 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2CHRNA7
SCHEMBL16178763 0.85 CHRNA7 (0.56) HTTNPC1RAB9AALDH1A1CHRNA7
SCHEMBL13930758 0.83 ALDH1A1 (0.48) HTTRAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL16178418 0.81 HTT (0.57) HTTNPC1RAB9AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL3713052 0.81 POLB (0.58) NPC1RAB9AALDH1A1LIMK2GAA
SCHEMBL2399513 0.80 HTT (0.78) HTTNPC1RAB9AALDH1A1MAPK1
SCHEMBL782107 0.77 CHRNA7 (0.83) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780250 0.77 KCNH2 (0.84) CHRNA7KCNH2
SCHEMBL27979642 0.76 HTT (0.89) HTTNPC1RAB9AALDH1A1MAPK1
SCHEMBL16178483 0.75 HTT (0.65) HTTNPC1RAB9AALDH1A1MAPK1

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 HTT 2650/4885NPC1 1968/4885RAB9A 1399/4885

“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.