SCHEMBL16939838

SCHEMBL16939838

Cc1cc(O[C@H](C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.66
▸ TP53 P04637 1/20 0.66
▸ MAPT P10636 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ PPARG P37231 1/20 0.60
▸ NCOA2 Q15596 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ IMPDH2 P12268 2/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL16939827 0.90 MAPT (0.66) LMNATP53MAPTKDM4EHPGD
SCHEMBL16939835 0.89 NPC1 (0.69) LMNATP53MAPTKDM4EHPGD
SCHEMBL2607558 0.88 MAPT (0.70) LMNATP53MAPTKDM4EHPGD
SCHEMBL18079668 0.88 PTPN2 (0.58) LMNATP53MAPTKDM4EHPGD
SCHEMBL16939829 0.87 MAPT (0.67) LMNATP53MAPTKDM4EHPGD
SCHEMBL16939873 0.87 MAPT (0.73) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL16939840 0.86 IMPDH2 (0.72) LMNAMAPTKDM4EHPGDALDH1A1
SCHEMBL16939836 0.86 IMPDH2 (0.67) LMNAMAPTKDM4EHPGDALDH1A1
SCHEMBL16939875 0.86 IMPDH2 (0.72) LMNAMAPTKDM4EHPGDALDH1A1
SCHEMBL16939862 0.84 IMPDH2 (0.70) LMNATP53IMPDH2

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-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 — — US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 — — 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 LMNA 4240/4885TP53 3821/4885MAPT 3597/4885

“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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