SCHEMBL5545430

SCHEMBL5545430

CN(Cc1cc[c]cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 1/20 0.42
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL863542 0.92 TSHR (0.50) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL10054994 0.85 CRHBP (0.67) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL642317 0.85 CRHBP (0.61) CRHBPCRHR2NR1H2NR1H3TSHR
Hydrochloric Acid SCHEMBL27388371 0.83 CRHBP (0.59) CRHBPCRHR2NR1H2NR1H3TSHR
Nitrogen SCHEMBL4600396 0.81 CRHBP (0.58) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL9864167 0.81 HDAC1 (0.42) CRHBPCRHR2NR1H2NR1H3ALDH1A1
SCHEMBL11881187 0.81 NR1H2 (0.62) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL921192 0.79 NR1H2 (0.46) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL12679022 0.79 TAAR1 (0.63) CRHBPCRHR2NR1H2NR1H3TSHR
SCHEMBL2645780 0.79 ALDH1A1 (0.54) TSHRALDH1A1AOC3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1393131-A Antifungal triazole compounds MILITARY MEDICAL UNIV NO 2 P L (CN) 2003-01-29 CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1242421-A1 4-[ARYL(8-AZABICYCLO[3.2.1] OCTAN-3-YL)] AMINOBENZOIC ACID DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-09-25 EP disclosed
WO-2001046191-A1 4-[ARYL(8-AZABICYCLO[3.2.1]OCTAN-3-YL)]AMINOBENZOIC ACID DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-06-28 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CRHBP 3246/4885CRHR2 1123/4885NR1H2 33/4885

“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.