SCHEMBL12389912

SCHEMBL12389912

COc1cc(F)cc(F)c1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ TPMT P51580 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36

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
SCHEMBL12390297 0.90 MAPK14 (0.44) LMNAHTTRAB9AMAPK14PYGL
SCHEMBL12365239 0.88 MAPK14 (0.43) LMNAHTTMAPK1RAB9AMAPK14
SCHEMBL12389723 0.87 LMNA (0.45) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12390248 0.86 HTR5A (0.44) HTR7
SCHEMBL12365946 0.85 MAPK14 (0.40) LMNAHTTMAPK1RAB9AMAPK14
SCHEMBL12365395 0.85 LMNA (0.46) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389118 0.84 LMNA (0.48) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389028 0.84 LMNA (0.44) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389841 0.82 LMNA (0.45) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389802 0.82 LMNA (0.47) LMNAHTTMAPK1RAB9ACA12

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E LMNA 3515/4885HTT 335/4885MAPK1 3710/4885

“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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