SCHEMBL3901211

SCHEMBL3901211

NCC(F)(F)c1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MMP2 P08253 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2D6 P10635 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP8 P22894 1/20 0.45
CCR1 P32246 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL2569765 0.80 PSMD14 (0.55) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL29935933 0.80 PSMD14 (0.55) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL13792146 0.75 LMNA (0.38) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL11850412 0.74 LMNA (0.47) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL20505776 0.73 KDM4E (0.50) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL30131535 0.72 KDM4E (0.54) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL11846063 0.72 KDM4E (0.54) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL762337 0.72 KDM4E (0.54) LMNAKDM4EMMP2TSHRSMN1; SMN2
SCHEMBL27978082 0.71 EPHX2 (0.38) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL30707961 0.71 PARP1 (0.47) LMNAKDM4EMMP2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 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-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 LMNA 2775/4885KDM4E 2158/4885MMP2 67/4885

“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.