SCHEMBL21913652

SCHEMBL21913652

CCc1cc(C(C)C)c2scnc2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSR P00390 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL22747529 0.77 GABRA1 (0.37)
SCHEMBL18876078 0.77 MEN1 (0.34) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27364173 0.76 ESR1 (0.38) GSR
SCHEMBL18876100 0.76 MEN1 (0.33) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27259761 0.76
SCHEMBL18876144 0.76 MEN1 (0.33) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27316214 0.72 KCNN4 (0.32) MEN1NPC1RAB9AKMT2A
SCHEMBL18876147 0.72 LMNA (0.35) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22843367 0.70 TAS1R3 (0.30)
SCHEMBL25880543 0.69

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-10597364-B2 Anthelmintic compounds, compositions and method of using thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2020-03-24 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-10597364-B2 Anthelmintic compounds, compositions and method of using thereof CYP8B1, CYP2C8, CYP2B6 MEN1 4477/4885NPC1 1401/4885RAB9A 2537/4885

“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.