SCHEMBL12365313

SCHEMBL12365313

[C-]#[N+]c1cccc(OC)c1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ MRGPRX4 Q96LA9 3/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ TPMT P51580 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ TTR P02766 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12365304 0.91 ALDH1A1 (0.35) LMNAHTTRAB9AMAPTSMN1; SMN2
SCHEMBL12389841 0.89 LMNA (0.45) LMNAMRGPRX4CA12CA1CA2
SCHEMBL12366745 0.86 HTR5A (0.41) RAB9AMAPTSMN1; SMN2
SCHEMBL12365049 0.85 LMNA (0.41) LMNAMRGPRX4CA12CA1CA2
SCHEMBL12365949 0.84 TTR (0.38) MRGPRX4TTRSRD5A1SRD5A2
SCHEMBL12389723 0.84 LMNA (0.45) LMNAMRGPRX4CA12CA1CA2
SCHEMBL12365350 0.82 CA12 (0.40) LMNACA12CA1CA2CA4
SCHEMBL12389903 0.81 LMNA (0.39) LMNAMRGPRX4CA12CA1CA2
SCHEMBL12390182 0.80 SRD5A2 (0.46) LMNAMRGPRX4CA12CA1CA2
SCHEMBL12365029 0.80 SRD5A2 (0.46) LMNARAB9ATTRSRD5A1SRD5A2

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 3515/4885MRGPRX4 2358/4885CA12 4696/4885

“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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