SCHEMBL627885

SCHEMBL627885

O=[N+]([O-])c1ccc(CNc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 1.00
PTPN2 P17706 1/20 1.00
PTPN1 P18031 1/20 1.00
PTPN11 Q06124 1/20 1.00
MAPT P10636 4/20 0.76
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAOB P27338 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CRHBP P24387 1/20 0.55

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
SCHEMBL3158234 0.93 PTPRF (0.87) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL4953680 0.91 PTPRF (0.83) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL6699468 0.88 PTPRF (0.78) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL7912544 0.86 PTPRF (0.75) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL9053517 0.86 PTPRF (0.75) PTPRFPTPN2PTPN1PTPN11MAPT
N-Benzylaniline SCHEMBL21820163 0.86 PTPRF (0.74) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL22783774 0.86 PTPRF (0.75) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL18183989 0.84 PTPRF (0.72) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL14950713 0.83 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL18600198 0.83 PTPRF (0.71) PTPRFPTPN2PTPN1PTPN11MAPT

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
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
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 EP disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 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 PTPRF 950/4885PTPN2 2115/4885PTPN1 2467/4885

“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.