SCHEMBL4772249

SCHEMBL4772249

O=[N+]([O-])Nc1cccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
HTT P42858 5/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8986339 0.75 PDE10A (0.57) RAB9AHTTKMT2AMEN1LMNA
SCHEMBL27817671 0.74 KDM4E (0.49) NPC1KMT2AALDH1A1MAPTGAA
SCHEMBL7208909 0.72 MAPK1 (0.49) RAB9AHTTNPC1SMN1; SMN2KMT2A
SCHEMBL31374378 0.72 MAPK1 (0.49) RAB9AHTTNPC1SMN1; SMN2KMT2A
SCHEMBL75026 0.71 PDE10A (0.56) RAB9AHTTNPC1SMN1; SMN2KMT2A
SCHEMBL29482300 0.71 PDE10A (0.56) RAB9AHTTNPC1SMN1; SMN2KMT2A
SCHEMBL8477791 0.70
SCHEMBL4955823 0.70
SCHEMBL1735748 0.70
SCHEMBL6965899 0.70 NPC1 (0.70) RAB9AHTTNPC1SMN1; SMN2KMT2A

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-108498504-A A kind of pharmaceutical composition and its preparation method and application for treating the proliferation of mammary gland 李娜 2018-09-07 CN claimed
CN-106146504-B A kind of heterocycle and glyoxaline compound, its pharmaceutical composition and its preparation method and application 上海汇伦生命科技有限公司 2018-09-07 CN disclosed
CN-108498504-A A kind of pharmaceutical composition and its preparation method and application for treating the proliferation of mammary gland 李娜 2018-09-07 CN disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
CN-1454086-A High affinity small molecule C5A receptor modulators NEUROGEN CORP (US) 2003-11-05 CN disclosed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 RAB9A 3369/4885HTT 3607/4885NPC1 3026/4885

“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.