SCHEMBL6500616

SCHEMBL6500616

COC(=O)CCCOc1cc(C)c2nc(C)n(Cc3ccc(O)cc3Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.38
DCTPP1 Q9H773 5/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
P2RY12 Q9H244 3/20 0.37
PDE2A O00408 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
BCL2 P10415 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL6497177 0.91 DYRK1A (0.42) MCL1DCTPP1MAPTKMT2APDE3B
SCHEMBL6497299 0.89 PDE3B (0.40) MCL1DCTPP1MAPTKMT2APDE3B
SCHEMBL6491512 0.84 MCL1 (0.41) MCL1DCTPP1MAPTKMT2APDE3B
SCHEMBL6502915 0.84 SMN1; SMN2 (0.44) MCL1MAPTKMT2APDE3BPDE3A
SCHEMBL6488241 0.83 MCL1 (0.43) MCL1DCTPP1MAPTKMT2APDE3B
SCHEMBL6502699 0.83 MCL1 (0.46) MCL1DCTPP1MAPTDYRK1A
SCHEMBL6490634 0.82 MCL1 (0.46) MCL1PPARG
SCHEMBL6499832 0.82 PLA2G2A (0.42) MCL1DCTPP1MAPTPDE3BPDE3A
SCHEMBL6488675 0.82 PLA2G2A (0.41) MCL1DCTPP1MAPTKMT2APDE3B
SCHEMBL6487942 0.81 MCL1 (0.42) MCL1DCTPP1PDE3BPDE3AP2RY12

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD MCL1 806/4885DCTPP1 1534/4885MAPT 3168/4885

“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.