SCHEMBL18177864

SCHEMBL18177864

COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ KCNMA1 Q12791 2/20 0.63
▸ ALDH1A1 P00352 5/20 0.59
▸ EPHX1 P07099 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL28579658 0.84 KMT2A (0.67) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL28589612 0.83 MEN1 (0.69) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL6815623 0.81 KCNMA1 (0.77) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL29886399 0.81 KCNMA1 (0.77) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL16592441 0.81 PKM (0.78) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL16592442 0.81 PKM (0.78) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL2069934 0.81 PKM (1.00) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL10657826 0.81 PKM (0.78) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL29884892 0.81 PKM (0.78) PKMHTTKCNMA1ALDH1A1EPHX1
SCHEMBL28587101 0.81 KCNMA1 (0.65) PKMHTTKCNMA1ALDH1A1EPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 PKM 493/4885HTT 3738/4885KCNMA1 4609/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 PKM 493/4885HTT 3738/4885KCNMA1 4609/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 PKM 493/4885HTT 3738/4885KCNMA1 4609/4885

“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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