SCHEMBL2056487

SCHEMBL2056487

CCC1Cc2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
HRH4 Q9H3N8 1/20 0.39
PNMT P11086 5/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
AKR1B1 P15121 1/20 0.35
TERT O14746 1/20 0.34
AR P10275 1/20 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
SCHEMBL2056484 0.88 HTR2A (0.39) HRH3PNMTHTR2AHTR2CHTR2B
SCHEMBL12463519 0.86 HRH3 (0.64) HRH3HRH4FFAR1FFAR4
SCHEMBL15708169 0.84 HRH3 (0.46) HRH3HRH4PNMTFFAR1FFAR4
SCHEMBL15740415 0.79 TDP1 (0.51) HRH3PNMTHTR2AHTR2CHTR2B
SCHEMBL15727613 0.79 TDP1 (0.51) HRH3PNMTHTR2AHTR2CHTR2B
SCHEMBL17193927 0.79 AKR1B1 (0.46) HRH3HRH4HTR2AHTR2CHTR2B
SCHEMBL20274118 0.79 AKR1B1 (0.46) HRH3HRH4HTR2AHTR2CHTR2B
SCHEMBL17761379 0.79 RORC (0.42) HRH3PNMTFFAR1FFAR4
SCHEMBL10282882 0.78 FFAR4 (0.51) HRH3HRH4FFAR1FFAR4
SCHEMBL20651133 0.77 HRH3 (0.42) HRH3HRH4HTR2CHTR2B

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
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP 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-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 HRH3 538/4885HRH4 360/4885PNMT 3431/4885

“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.