SCHEMBL2056337

SCHEMBL2056337

CCc1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.51
HTR1A P08908 3/20 0.51
DRD2 P14416 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
ICMT O60725 1/20 0.49
HTR1B P28222 3/20 0.49
TRPV1 Q8NER1 1/20 0.47
IDO1 P14902 1/20 0.47
KIF11 P52732 1/20 0.46
TBXAS1 P24557 1/20 0.46
SNCA P37840 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL31744617 0.87 GPR84 (0.49) HTR1DHTR1ADRD2HTR7HTR6
SCHEMBL12327114 0.87 TBXAS1 (0.56) KIF11TBXAS1GPR84MEN1MAPT
SCHEMBL21341623 0.85 HTR1D (0.69) HTR1DHTR1AHTR1BTRPV1KIF11
SCHEMBL26674885 0.84 HTR1D (0.52) HTR1DHTR1ADRD2HTR7HTR6
SCHEMBL17027262 0.83 HTR2A (0.51) HTR1DHTR1ADRD2HTR7HTR6
SCHEMBL22879684 0.81 HTR1D (0.50) HTR1DHTR1ADRD2HTR7HTR6
SCHEMBL6287980 0.81 TSHR (0.67) HTR1DICMTTRPV1SNCAMEN1
SCHEMBL892709 0.81 HTR1D (0.73) HTR1DHTR1AHTR7HTR6HTR1B
SCHEMBL17375886 0.81 HTR1D (0.52) HTR1DHTR1AICMTHTR1BTRPV1
SCHEMBL30532276 0.81 HTR1D (0.52) HTR1DHTR1AICMTHTR1BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 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 (4 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HTR1D 2640/4885HTR1A 3561/4885DRD2 409/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1A 4710/4885DRD2 4227/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HTR1D 37/4885HTR1A 215/4885DRD2 472/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR1D 4753/4885HTR1A 4710/4885DRD2 4227/4885

“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.