SCHEMBL18840607

SCHEMBL18840607

CC/N=c1\ccc2c(-c3ccccc3C(=O)OCCCCCCCCCC3=CC(=O)C(C)=C(C)C3=O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ FPR2 P25090 4/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ IGLV6-57 P01721 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL18840112 0.89 MEN1 (0.48) TGM2ABCB1FPR2USP2MEN1
SCHEMBL20600868 0.89 MEN1 (0.48) TGM2ABCB1FPR2USP2MEN1
SCHEMBL2732905 0.86 ABCB1 (0.43) TGM2ABCB1FPR2USP2ATM
SCHEMBL22851948 0.84 MAOB (0.45) TGM2ABCB1FPR2USP2ATM
SCHEMBL18029775 0.83 TGM2 (0.36) TGM2ABCB1FPR2USP2ATM
SCHEMBL20961733 0.82 ABCB1 (0.40) TGM2ABCB1FPR2USP2ATM
SCHEMBL15100480 0.80 ABCB1 (0.53) TGM2ABCB1FPR2USP2ATM
SCHEMBL20600861 0.80 ABCB1 (0.61) ABCB1USP2ATMCFTRPAX8
SCHEMBL14338981 0.80 TGM2 (0.46) TGM2FPR2USP2MEN1POLB
SCHEMBL12324197 0.78 MEN1 (0.48) TGM2ABCB1FPR2USP2MEN1

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-20170128467-A1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITIONS WITH MULTIPLE DRUG RESISTANCE INHIBITING PROPERTIES MITOTECH, S. A. (LU) 2017-05-11 — — 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-20170128467-A1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITIONS WITH MULTIPLE DRUG RESISTANCE INHIBITING PROPERTIES SLC11A2, CFTR, ABCC1 TGM2 3565/4885ABCB1 11/4885FPR2 150/4885

“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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