SCHEMBL5114023

SCHEMBL5114023

Cc1c(N)csc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LIMK1 P53667 1/20 0.45
GRM6 O15303 4/20 0.44
ALDH1A1 P00352 7/20 0.41
GRM5 P41594 1/20 0.40
TDO2 P48775 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1067241 0.80 ALDH1A1 (0.42) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22157991 0.80 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9489536 0.78 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5120680 0.77 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12263425 0.77 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5127248 0.77 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5116843 0.71 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Ethylamine SCHEMBL6158093 0.70 NPC1 (0.58) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22299325 0.70 CYP2A6 (0.42) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16996824 0.69 GRM6 (0.52) MAPTNPC1RAB9AHPGDLIMK1

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-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR MAPT 3063/4885NPC1 3349/4885RAB9A 1436/4885

“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.