SCHEMBL6094816

SCHEMBL6094816

CC(C)C(C(=O)Nc1ccc2c(c1)ncn2-c1nccs1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
HDAC1 Q13547 7/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
FFAR2 O15552 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRA2B P18089 1/20 0.42

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
SCHEMBL6091957 1.00 LMNA (0.54) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4363669 0.91 FFAR2 (0.56) LMNANPC1RAB9ASMN1; SMN2FFAR2
SCHEMBL4372131 0.79 ALDH1A1 (0.47) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4372973 0.78 NPC1 (0.50) LMNANPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL4367689 0.77 HPGD (0.49) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6092359 0.76 ALDH1A1 (0.46) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6092695 0.74 PDE10A (0.44) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6094823 0.72 LMNA (0.53) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6091959 0.72 LMNA (0.53) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4365495 0.71 NPC1 (0.45) LMNANPC1RAB9ASMN1; SMN2MEN1

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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed

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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 LMNA 2221/4885TSHR 1721/4885NPC1 3580/4885

“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.