SCHEMBL21630316

SCHEMBL21630316

Clc1[c]ccc(Oc2ccc(Cl)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ MPO P05164 1/20 0.34
▸ TPO P07202 1/20 0.34
▸ EPX P11678 1/20 0.34
▸ LPO P22079 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNE1 P15382 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL21630278 0.84 MPO (0.33) CHRNB2CHRNA4MPOTPOEPX
SCHEMBL21630275 0.80 GRM4 (0.36) —
SCHEMBL31296163 0.78 CHRNA3 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL901182 0.77 MAOA (0.47) SCN9A
SCHEMBL28564069 0.76 GRM5 (0.36) —
SCHEMBL8126363 0.75 LMNA (0.61) —
SCHEMBL21630305 0.74 TEAD4 (0.44) —
SCHEMBL21630310 0.74 MAPT (0.44) —
SCHEMBL28575004 0.74 S1PR2 (0.34) SCN9A
SCHEMBL21630308 0.74 SOS1 (0.38) SCN9A

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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 — — US disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 — — 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C CHRNB2 4870/4885CHRNB4 4818/4885CHRNA3 4787/4885
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C CHRNB2 4414/4885CHRNB4 4220/4885CHRNA3 4106/4885

“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.

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