SCHEMBL14890282

SCHEMBL14890282

O=C(CN1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.56
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
ATM Q13315 1/20 0.55
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.52
OGA O60502 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL14889778 0.96 ALDH1A1 (0.60) NAMPTALDH1A1KDM4ETHRBATM
SCHEMBL14890067 0.90 KMT2A (0.52) NAMPTALDH1A1KMT2ATSHRLMNA
SCHEMBL14890137 0.86 LMNA (0.52) NAMPTALDH1A1KMT2ATSHRLMNA
SCHEMBL14890390 0.85 ALDH1A1 (0.62) NAMPTALDH1A1THRBKMT2ATSHR
SCHEMBL14890277 0.85 KMT2A (0.55) NAMPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL14890178 0.83 KMT2A (0.54) NAMPTALDH1A1THRBKMT2ATSHR
SCHEMBL14890097 0.83 ALDH1A1 (0.58) NAMPTALDH1A1KMT2ATSHRLMNA
SCHEMBL8556969 0.75 REV1 (0.53) ALDH1A1KDM4ETHRBATMKMT2A
SCHEMBL12152008 0.74 ALDH1A1 (0.44) NAMPTALDH1A1KMT2ATSHRLMNA
SCHEMBL14890146 0.74 MAPT (0.78) ALDH1A1KMT2ATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US claimed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 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-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein SERPINB1, TIMP3, MIF NAMPT 345/4885ALDH1A1 3601/4885KDM4E 1720/4885

“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.