SCHEMBL21630278

SCHEMBL21630278

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.33
▸ TPO P07202 1/20 0.33
▸ EPX P11678 1/20 0.33
▸ LPO P22079 1/20 0.33
▸ CHRNB2 P17787 3/20 0.31
▸ CHRNA4 P43681 3/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21630316 0.84 CHRNB2 (0.36) MPOTPOEPXLPOCHRNB2
SCHEMBL21630310 0.78 MAPT (0.44) LTA4HTSHR
SCHEMBL901182 0.74 MAOA (0.47) LTA4HLMNACYP2C9SMN1; SMN2
SCHEMBL28564069 0.73 GRM5 (0.36) LMNA
SCHEMBL8126363 0.73 LMNA (0.61) LTA4HLMNASMN1; SMN2
SCHEMBL21630308 0.71 SOS1 (0.38) —
SCHEMBL21630390 0.71 LTA4H (0.41) LTA4HSMN1; SMN2
SCHEMBL21630305 0.71 TEAD4 (0.44) SMN1; SMN2
SCHEMBL28575004 0.71 S1PR2 (0.34) LTA4HLMNATSHRSMN1; SMN2
SCHEMBL28559740 0.71 LOX (0.38) —

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-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 (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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C MPO 1191/4885TPO 3149/4885EPX 2480/4885

“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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