SCHEMBL6539418

SCHEMBL6539418

c1ccc([N]c2cc3ccccc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
CYP2A6 P11509 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
APP P05067 2/20 0.38
AGXT P21549 1/20 0.38
ADRB2 P07550 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL2494057 0.75 CYP2A6 (0.44) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL9396821 0.75 CYP2A6 (0.44) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL29610590 0.71 CYP2A6 (0.40) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL4912489 0.71 CYP2A6 (0.44) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL9811930 0.71 CYP2A6 (0.40) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL10514091 0.71 CYP2A6 (0.53) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL1259272 0.68 SLC9A1 (0.53) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL29732980 0.66 APP (0.63) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL845603 0.66 APP (0.63) BCL2L1CYP2A6ASIC3LOXL2MGLL
SCHEMBL2150464 0.66 APP (0.57) BCL2L1CYP2A6ASIC3LOXL2MGLL

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-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide RHEOGENE, INC. (DE CORPORATION) 2004-09-02 US claimed

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-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide NR2E3, ESRRB, NR0B2 BCL2L1 1758/4885CYP2A6 1528/4885ASIC3 3620/4885

“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.