SCHEMBL684122

SCHEMBL684122

Cc1nn(C)cc1C(=O)Nc1ccsc1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
NAMPT P43490 2/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 5/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALPL P05186 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.44
EGFR P00533 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR2 P30874 1/20 0.40

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
SCHEMBL14185462 0.83 LMNA (0.59) ATMGAALMNAIRAK4
SCHEMBL442079 0.81 ATM (0.51) ATMNAMPTRAB9ANPC1GAA
SCHEMBL17999731 0.80 ATM (0.49) ATMNAMPTRAB9ANPC1GAA
SCHEMBL10138770 0.76 GAA (0.50) ATMNAMPTRAB9ANPC1GAA
SCHEMBL11541530 0.75 GAA (0.73) ATMNAMPTRAB9ANPC1GAA
SCHEMBL1085423 0.74 ATM (0.68) ATMNAMPTRAB9AGAAALDH1A1
SCHEMBL22987577 0.73 GAA (0.59) ATMNAMPTRAB9ANPC1GAA
SCHEMBL8568083 0.73 GAA (0.69) ATMNAMPTRAB9ANPC1GAA
SCHEMBL27716559 0.72 ATM (0.65) ATMNAMPTRAB9ANPC1GAA
SCHEMBL12921935 0.72 ATM (0.69) ATMNAMPTRAB9ANPC1GAA

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-20120010252-A1 FUNGICIDAL MIXTURES OF THIOPHENE DERIVATIVE FOOR STEPHEN RAY (US) 2012-01-12 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-20120010252-A1 FUNGICIDAL MIXTURES OF THIOPHENE DERIVATIVE MRM1, CYP11B1, CYP11A1 ATM 3892/4885NAMPT 2344/4885RAB9A 2639/4885

“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.