SCHEMBL629014

SCHEMBL629014

COCCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PYCR1 P32322 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL3144616 0.97 KCNH2 (0.52) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL3158691 0.86 KCNH2 (0.66) KCNH2CRHBPCRHR2PYCR1IDO1
SCHEMBL2104567 0.82 CRHBP (0.54) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL7231705 0.81 PYCR1 (0.55) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL15392240 0.80 LOXL2 (0.59) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL5208558 0.80 KCNH2 (0.71) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL1206139 0.78 HRH3 (0.58) KCNH2CRHBPCRHR2PYCR1ALDH1A1
SCHEMBL3156425 0.78 KCNH2 (0.60) KCNH2CRHBPCRHR2PYCR1
SCHEMBL4985770 0.78 TSHR (0.58) KCNH2ALDH1A1LMNAIDO1LOXL2
SCHEMBL3157181 0.78 CYP2C19 (0.59) KCNH2CRHBPCRHR2PYCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CRHBP 3168/4885CRHR2 4740/4885

“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.