SCHEMBL2056484

SCHEMBL2056484

CCC1Cc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
PNMT P11086 5/20 0.38
HRH3 Q9Y5N1 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
AKR1B1 P15121 1/20 0.35
TERT O14746 1/20 0.34
AR P10275 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34

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
SCHEMBL2056487 0.88 HRH3 (0.49) HTR2AHTR2CHTR2BPNMTHRH3
SCHEMBL15898898 0.84 PNMT (0.38) HTR2AHTR2CHTR2BPNMTHRH3
SCHEMBL18474265 0.79 AKR1B1 (0.46) HTR2AHTR2CAKR1B1
SCHEMBL5548007 0.76 MAOA (0.35) HRH3AKR1B1
SCHEMBL5548009 0.76 MEN1 (0.46)
SCHEMBL13072472 0.75 HRH3 (0.38) HRH3AKR1B1
SCHEMBL17026770 0.75 KMT2A (0.39) HTR2AHTR2CHTR2BAR
SCHEMBL12463519 0.73 HRH3 (0.64) HRH3
SCHEMBL15086523 0.73 TRPV1 (0.45) TRPV1
SCHEMBL15708169 0.72 HRH3 (0.46) PNMTHRH3TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HTR2A 3100/4885HTR2C 2157/4885HTR2B 2556/4885

“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.