SCHEMBL3461884

SCHEMBL3461884

O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.65
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 1/20 0.51
P2RX7 Q99572 1/20 0.49
MMP9 P14780 4/20 0.48
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP8 P22894 3/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
CNR1 P21554 3/20 0.47
CNR2 P34972 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
SCHEMBL8740549 1.00 NAMPT (0.65) NAMPTMEN1ALDH1A1KMT2AHTT
SCHEMBL8092135 1.00 NAMPT (0.65) NAMPTMEN1ALDH1A1KMT2AHTT
SCHEMBL1665424 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL15364885 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL192420 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL18141994 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL3328510 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL17923298 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL5802535 0.85 NAMPT (0.52) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL3106753 0.84 NAMPT (0.58) NAMPTMEN1ALDH1A1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 NAMPT 2400/4885MEN1 4800/4885ALDH1A1 3298/4885

“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.