SCHEMBL4380098

SCHEMBL4380098

O=C(Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RAB9A P51151 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
PAX8 Q06710 1/20 0.32
XBP1 P17861 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MCHR1 Q99705 2/20 0.31
S1PR1 P21453 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4368955 0.84 METAP1 (0.32)
SCHEMBL4379357 0.83 GPR142 (0.32) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4372174 0.82 METAP1 (0.31)
SCHEMBL4371828 0.82 NPY5R (0.32)
SCHEMBL4376258 0.82 NPC1 (0.40) RAB9AKDM4ENPC1ALDH1A1MAPT
SCHEMBL4368736 0.81 ALDH1A1 (0.44) POLBKDM4EALDH1A1MCHR1
SCHEMBL4372975 0.80 MTOR (0.40)
SCHEMBL4375234 0.80 MTOR (0.40)
SCHEMBL4367530 0.80 KDR (0.38) RAB9AKDM4ENPC1KMT2ASMN1; SMN2
SCHEMBL4367683 0.79 LIPE (0.33) RAB9AKDM4ENPC1KMT2ASMN1; SMN2

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 4 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 KCNH2 3841/4885HRH3 1561/4885RAB9A 4310/4885

“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.