SCHEMBL1695206

SCHEMBL1695206

O=C(O)NCc1c2ccocc-2c(=O)cc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ERN1 O75460 1/20 0.32
P2RX7 Q99572 2/20 0.30

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
SCHEMBL150661 0.77 NQO1 (0.33) ERN1
SCHEMBL28013945 0.73 ERN1 (0.34) ERN1
SCHEMBL27470302 0.71 ERN1 (0.35) ERN1
SCHEMBL21354550 0.70 TRPA1 (0.33) HPGDHTTERN1
SCHEMBL28982574 0.70 ERN1 (0.36) ERN1
SCHEMBL23797890 0.69 HSPD1 (0.34) ALDH1A1ERN1
SCHEMBL3285717 0.65
SCHEMBL3997148 0.61
SCHEMBL3232626 0.60 EPHX2 (0.62) ALDH1A1HTTNPSR1
SCHEMBL25375943 0.60 TACR1 (0.40) ALDH1A1P2RX7

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
CN-115322193-A EGFR and/or HER2 inhibitors and methods of use 达纳-法伯癌症研究所股份有限公司 2022-11-11 CN disclosed
CN-111099941-B Preparation method of alkyl nitrile compound 中国科学院上海有机化学研究所 2022-10-18 CN disclosed
CN-115135765-A Chemically modified oligonucleotides targeting bromodomain-containing protein 4(BRD4) for immunotherapy 菲奥医药公司 2022-09-30 CN disclosed
CN-111032655-B EGFR and/or HER2 inhibitors and methods of use 达纳-法伯癌症研究所股份有限公司 2022-09-02 CN disclosed
CN-109563509-B Reduced size self-delivering nucleic acid compounds targeting long non-coding RNAs 菲奥医药公司 2022-08-09 CN disclosed
CN-114751920-A Antitumor compounds 法马马有限公司 2022-07-15 CN disclosed
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds PHARMA MAR, S.A. (ES) 2013-03-14 US disclosed
EP-2231695-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-02-13 EP disclosed
WO-2011147828-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2011-12-01 WO disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
WO-2010149688-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2010-12-29 WO disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 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-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds SERPINH1, ERLIN2, PTMA ALDH1A1 3310/4885MAPT 3854/4885HPGD 865/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B ALDH1A1 319/4885MAPT 347/4885HPGD 666/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B ALDH1A1 319/4885MAPT 347/4885HPGD 666/4885

“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.