SCHEMBL16383899

SCHEMBL16383899

Cc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCLAT1 Q6UWP7 9/20 0.84
▸ MAPT P10636 8/20 0.77
▸ ALDH1A1 P00352 7/20 0.77
▸ KDM4E B2RXH2 7/20 0.77
▸ HPGD P15428 5/20 0.77
▸ NPSR1 Q6W5P4 3/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ CYP2C19 P33261 2/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ LMNA P02545 5/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ NPC1 O15118 4/20 0.73
▸ RAB9A P51151 4/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ USP2 O75604 1/20 0.73
▸ ALOX15 P16050 1/20 0.73
▸ MEN1 O00255 1/20 0.65

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
SCHEMBL21866173 0.91 LCLAT1 (1.00) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL8770851 0.91 LCLAT1 (0.68) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL16383848 0.87 MAPT (1.00) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL15925491 0.85 LMNA (1.00) LCLAT1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL13571264 0.82 LMNA (0.84) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL21866518 0.81 LCLAT1 (0.82) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL21867341 0.81 LCLAT1 (0.82) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL21867351 0.81 LCLAT1 (0.81) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL21867354 0.81 LCLAT1 (0.81) LCLAT1MAPTALDH1A1KDM4EHPGD
SCHEMBL21866961 0.81 LCLAT1 (0.81) LCLAT1MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2021-12-28 — — US disclosed
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2020-04-09 — — US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 — — WO 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-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 LCLAT1 5/4885MAPT 333/4885ALDH1A1 65/4885
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 LCLAT1 644/4885MAPT 2408/4885ALDH1A1 982/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 LCLAT1 5/4885MAPT 333/4885ALDH1A1 65/4885

“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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