SCHEMBL6092024

SCHEMBL6092024

CCC(C(=O)Nc1ccc2nc(-c3nccs3)[nH]c2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 6/20 0.49
TP53 P04637 4/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
NPC1 O15118 2/20 0.49
KLK7 P49862 1/20 0.49
HDAC1 Q13547 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46

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
SCHEMBL6093781 0.88 MAPT (0.53) SMN1; SMN2HTTALDH1A1TP53RAB9A
SCHEMBL4372123 0.87 ALDH1A1 (0.49) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL6092686 0.85 MAPT (0.51) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL6092352 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HTTALDH1A1TP53RAB9A
SCHEMBL4367511 0.81 METAP1 (0.56) SMN1; SMN2ALDH1A1TP53RAB9AKDM4E
SCHEMBL4363565 0.81 METAP1 (0.56) SMN1; SMN2ALDH1A1TP53RAB9AKDM4E
SCHEMBL13624155 0.81 METAP1 (0.56) SMN1; SMN2ALDH1A1TP53RAB9AKDM4E
SCHEMBL6094823 0.79 LMNA (0.53) SMN1; SMN2LMNAALDH1A1TP53RAB9A
SCHEMBL6091959 0.79 LMNA (0.53) SMN1; SMN2LMNAALDH1A1TP53RAB9A
SCHEMBL4371236 0.79 ROCK2 (0.47) SMN1; SMN2LMNAALDH1A1TP53RAB9A

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 SMN1; SMN2 2413/4885LMNA 2221/4885HTT 2838/4885

“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.