SCHEMBL8167648

SCHEMBL8167648

O=C(NCCC1=CCCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
ALDH1A1 P00352 5/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
MAPT P10636 2/20 0.66
HPGD P15428 3/20 0.61
LMNA P02545 3/20 0.61
EPHX1 P07099 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.58

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
SCHEMBL31612285 0.88 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL3635519 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL6569873 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL2665808 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL13210626 0.77 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL10144689 0.77 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL18719840 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL15695713 0.76 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL28361969 0.75 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL29650441 0.75 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1

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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 RAB9A 3119/4885NPC1 2371/4885SMN1; SMN2 2385/4885

“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.