SCHEMBL627381

SCHEMBL627381

O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.71
CRHR2 Q13324 3/20 0.71
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ATM Q13315 1/20 0.59
TLR9 Q9NR96 1/20 0.59
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 3/20 0.52
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PYCR1 P32322 1/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL8537467 0.93 CRHBP (0.61) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL11730575 0.90 CRHBP (0.68) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL18660114 0.86 CRHBP (0.58) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3737073 0.83 KCNJ1 (0.51) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL9763684 0.83 CRHBP (1.00) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL16699713 0.81 CRHBP (0.65) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3161760 0.81 CRHBP (0.65) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL11788916 0.81 CYP1A2 (0.60) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL29893178 0.81 CYP1A2 (0.60) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL19921011 0.81 CRHBP (0.49) CRHBPCRHR2ALDH1A1MEN1KMT2A

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
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
US-3963779-A 1,1-BIS(N,N-DIPHENYL-ALKYL-AMINO-PHENYL)-ALKANE MITSUBISHI PAPER MILLS, LTD. (JA) 1976-06-15 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 CRHBP 3168/4885CRHR2 4740/4885ALDH1A1 2858/4885

“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.