SCHEMBL2720971

SCHEMBL2720971

O=C(O)CNCc1c([N+](=O)[O-])ccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.47
FBP1 P09467 2/20 0.43
VCAM1 P19320 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL4432331 0.99 MAPT (0.49) TDP1MAPTFBP1VCAM1MEN1
SCHEMBL27919377 0.85 TDP1 (0.44) TDP1MAPTVCAM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5710125 0.84 TDP1 (0.43) TDP1MAPTVCAM1MEN1KMT2A
SCHEMBL6781270 0.83 AKR1B1 (0.47) MAPTFBP1MEN1KMT2ALMNA
SCHEMBL273112 0.82 LMNA (0.45) TDP1MAPTFBP1VCAM1MEN1
SCHEMBL2476365 0.81 TDP1 (0.40) TDP1MAPTVCAM1MEN1KMT2A
Hydrochloric Acid SCHEMBL273187 0.81 LMNA (0.44) TDP1MAPTFBP1VCAM1MEN1
SCHEMBL278949 0.81 TDP1 (0.51) TDP1MAPTVCAM1MEN1KMT2A
SCHEMBL10603695 0.80 ALDH1A1 (0.53) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL2476369 0.79 TDP1 (0.38) TDP1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103333078-A Synthesis method for key intermediate, analogue or salt of ticlopidine SUZHOU HUIHE PHARMACEUTICAL CO LTD 2013-10-02 CN claimed
CN-103180323-B For the method preparing anagrelide and the like 夏尔有限责任公司 2016-08-10 CN disclosed
CN-103333078-B The synthetic method of a kind of anagrelide key intermediate, analogue or its salt SUZHOU HUIHE PHARMACEUTICAL CO., LTD. (CN) 2016-01-20 CN disclosed
CN-103333078-B The synthetic method of a kind of anagrelide key intermediate, analogue or its salt SUZHOU HUIHE PHARMACEUTICAL CO., LTD. (CN) 2016-01-20 CN disclosed
US-9067944-B2 Process for the preparation of anagrelide and analogues thereof SHIRE LLC (US) 2015-06-30 US disclosed
CN-103333078-A Synthesis method for key intermediate, analogue or salt of ticlopidine SUZHOU HUIHE PHARMACEUTICAL CO LTD 2013-10-02 CN disclosed
CN-103333078-A Synthesis method for key intermediate, analogue or salt of ticlopidine SUZHOU HUIHE PHARMACEUTICAL CO LTD 2013-10-02 CN disclosed
EP-2630148-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF Shire LLC (US) 2013-08-28 EP disclosed
US-20130211083-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE LLC (US) 2013-08-15 US disclosed
CN-103180323-A Process for the preparation of anagrelide and analogues thereof SHIRE LLC 2013-06-26 CN disclosed
WO-2012052781-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF SHIRE, LLC (US) 2012-04-26 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-20130211083-A1 PROCESS FOR THE PREPARATION OF ANAGRELIDE AND ANALOGUES THEREOF CIAPIN1, QDPR, CYP51A1 TDP1 1113/4885MAPT 4293/4885FBP1 1244/4885

“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.