Doranidazole

Doranidazole

SCHEMBL2840259

O=[N+]([O-])c1nccn1COC(CO)C(O)CO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.45
TYMP P19971 3/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
MGAM O43451 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NOS1 P29475 1/20 0.32

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
Doranidazole SCHEMBL8279382 1.00 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
Doranidazole SCHEMBL8279381 1.00 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
Doranidazole SCHEMBL7201581 1.00 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
Doranidazole SCHEMBL7208974 1.00 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL9237087 0.91 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL13627316 0.91 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL9975773 0.91 KMT2A (0.47) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL17706716 0.89 KMT2A (0.43) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL17706714 0.89 KMT2A (0.43) KMT2ALMNATHRBCYP2C19TYMP
SCHEMBL27791575 0.88 KMT2A (0.49) KMT2ALMNATHRBCYP2C19TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116241-B1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC (JP) 2016-04-27 EP claimed
EP-2156832-B1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC (JP) 2014-06-25 EP claimed
US-8541459-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2013-09-24 US claimed
US-8450356-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2013-05-28 US claimed
US-8420687-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2013-04-16 US claimed
US-8258166-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2012-09-04 US claimed
US-8258165-B2 Pharmaceutical composition POLA PHARMA INC. (JP) 2012-09-04 US claimed
US-8202898-B1 Pharmaceutical composition POLA PHARMA INC. (JP) 2012-06-19 US claimed
US-20120136295-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2012-05-31 US claimed
US-20120136160-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2012-05-31 US claimed
US-20120130148-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2012-05-24 US claimed
US-20120129905-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2012-05-24 US claimed
US-20100130576-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2010-05-27 US claimed
US-20100076042-A1 PHARMACEUTICAL COMPOSITION POLA PHARMA INC. (JP) 2010-03-25 US claimed
EP-2156832-A1 PHARMACEUTICAL COMPOSITION Pola Pharma Inc. (JP) 2010-02-24 EP claimed
EP-2116241-A1 PHARMACEUTICAL COMPOSITION Pola Pharma Inc. (JP) 2009-11-11 EP claimed
US-5929104-A Method for inducing apoptosis of cancer cell POLA CHEMICAL INDUSTRIES, INC. (JP) 1999-07-27 US claimed
JP-9077667-A None JP disclosed
US-5270330-A 2-nitroimidazole derivative, production thereof, and radiosensitizer containing the same as active ingredient POLA CHEMICAL INDUSTRIES, INC. (JP) 1993-12-14 US disclosed
EP-0513351-A1 2-NITROIMIDAZOLE DERIVATIVE, PRODUCTION THEREOF, AND RADIOSENSITIZER CONTAINING THE SAME AS ACTIVE INGREDIENT POLA CHEMICAL INDUSTRIES INC (JP) 1992-11-19 EP 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-20100076042-A1 PHARMACEUTICAL COMPOSITION MT-ND1, CYP2C19, KDM1A KMT2A 700/4885LMNA 3680/4885THRB 4790/4885
US-20120129905-A1 PHARMACEUTICAL COMPOSITION MT-ND1, CYP2C19, KDM1A KMT2A 700/4885LMNA 3680/4885THRB 4790/4885
US-20120136160-A1 PHARMACEUTICAL COMPOSITION CYP2C19, CYP2C18, CYP2D6 KMT2A 3622/4885LMNA 3902/4885THRB 4567/4885
US-20100130576-A1 PHARMACEUTICAL COMPOSITION CYP2C19, CYP2C18, CYP2D6 KMT2A 3622/4885LMNA 3902/4885THRB 4567/4885

“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.