SCHEMBL628112

SCHEMBL628112

O=[N+]([O-])c1cc(CNc2ccccc2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.59
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
PTPN11 Q06124 1/20 0.59
KDM1A O60341 1/20 0.58
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
VCAM1 P19320 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 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
SCHEMBL11233436 0.85 KMT2A (0.55) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL14567837 0.81 L3MBTL1 (0.61) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL23529671 0.80 PTPRF (0.56) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL15600303 0.80 KDM1A (0.54) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL6483439 0.79 PKM (0.45) PTPN2PTPN1KDM1AMAPTMEN1
SCHEMBL15380348 0.78 VCAM1 (0.54) KDM1AMEN1KMT2AVCAM1SMN1; SMN2
SCHEMBL28555521 0.78 SMN1; SMN2 (0.59) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL9511525 0.78 VCAM1 (0.56) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL29936572 0.78 VCAM1 (0.56) KDM1AMAPTMEN1KMT2ALMNA
SCHEMBL1726825 0.78 KDM1A (0.53) KDM1AMAPTMEN1KMT2ALMNA

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 9 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

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.