SCHEMBL18782898

SCHEMBL18782898

CSCC(=O)Cc1ccccc1CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 4/20 0.46
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CHRNA7 P36544 1/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 2/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL12282251 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL10140834 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL890107 0.80 KMT2A (0.56) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL753109 0.79 KMT2A (0.57) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL890075 0.79 MEN1 (0.54) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL888760 0.78 KMT2A (0.54) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL19364663 0.77 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL13747641 0.77 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL755778 0.77 KMT2A (0.55) KMT2AMEN1ALDH1A1VEGFAEGLN1
SCHEMBL8907285 0.77 KMT2A (0.52) KMT2AMEN1ALDH1A1VEGFAEGLN1

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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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 (2 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 1865/4885MEN1 4868/4885ALDH1A1 201/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KMT2A 1492/4885MEN1 4840/4885ALDH1A1 132/4885

“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.