SCHEMBL4369563

SCHEMBL4369563

N#CCCN(C(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
METAP1 P53582 8/20 0.44
METAP2 P50579 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
FKBP1A P62942 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4368731 0.95 ALDH1A1 (0.47) ALDH1A1LMNAUSP2HSD17B10METAP1
SCHEMBL4375663 0.90 METAP1 (0.47) ALDH1A1LMNAHSD17B10METAP1METAP2
SCHEMBL4366093 0.87 METAP1 (0.48) ALDH1A1LMNAHSD17B10METAP1METAP2
SCHEMBL4369671 0.86 NPC1 (0.52) ALDH1A1LMNAHSD17B10METAP1METAP2
SCHEMBL4364502 0.86 METAP1 (0.47) ALDH1A1LMNAHSD17B10METAP1METAP2
Trifluoroacetic Acid SCHEMBL4374375 0.85 METAP1 (0.43) ALDH1A1LMNAHSD17B10METAP1METAP2
SCHEMBL4374378 0.83 METAP1 (0.41) ALDH1A1LMNAMETAP1METAP2NPC1
SCHEMBL4371096 0.82 METAP1 (0.50) ALDH1A1LMNAHSD17B10METAP1METAP2
Trifluoroacetic Acid SCHEMBL4376255 0.82 NPC1 (0.48) ALDH1A1LMNAHSD17B10METAP1METAP2
Trifluoroacetic Acid SCHEMBL4379349 0.82 METAP1 (0.43) ALDH1A1LMNAHSD17B10METAP1METAP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 ALDH1A1 916/4885LMNA 2221/4885USP2 3758/4885

“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.