SCHEMBL6771567

SCHEMBL6771567

CC(C(N)=O)n1c(NC(=O)c2ccccc2)nc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.50
INSR P06213 2/20 0.47
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
KCNH2 Q12809 1/20 0.42
BACE2 Q9Y5Z0 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
SCHEMBL6771576 0.82 ITK (0.71) ITKINSR
SCHEMBL3455619 0.75 KMT2A (0.54) HPGDKDM4EALDH1A1THRBMEN1
Methyl Alcohol SCHEMBL11518093 0.71 SMN1; SMN2 (0.72) HPGDKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL25123079 0.71 SMN1; SMN2 (0.76) HPGDALDH1A1MEN1KMT2ANAMPT
SCHEMBL4522241 0.71 SMN1; SMN2 (0.76) HPGDALDH1A1MEN1KMT2ANAMPT
SCHEMBL8395225 0.71 SMN1; SMN2 (0.76) HPGDALDH1A1MEN1KMT2ANAMPT
SCHEMBL1969435 0.70 PTGES (0.48) HPGDKDM4EALDH1A1THRBMEN1
SCHEMBL8391563 0.69 SMN1; SMN2 (0.73) HPGDKDM4EMEN1KMT2ANAMPT
SCHEMBL19465043 0.69 HPGD (0.58) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1725705 0.68 HPGD (0.59) HPGDKDM4EALDH1A1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825219-B2 NITROGEN COMPOUNDS SUCH AS 4-((5-(CYCLOHEXYL-METHYL-CARBAMOYL) -2(THIOPHENE-2-CARBONYL)-AMINO)BENZIMIDAZOL-1-YL)-BUTYRIC ACID ADMINISTERED FOR THE PROPHYLAXIS OF INFLAMMATORY, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20030144281-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-31 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-20030144281-A1 Substituted benzimidazole compounds HRH2, HRH4, HRH1 ITK 1721/4885INSR 2096/4885HPGD 2031/4885

“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.