SCHEMBL8002914

SCHEMBL8002914

O=C(NCCSc1ccc(CO)cc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TGM2 P21980 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
NPC1 O15118 3/20 0.47
RECQL P46063 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL19145580 0.90 SMN1; SMN2 (0.68) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL7991636 0.88 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL13693420 0.87 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL3400792 0.87 HPGD (0.61) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL3404533 0.85 ALDH1A1 (0.62) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL3398650 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL15672239 0.80 MTNR1A (0.54) SMN1; SMN2LMNAL3MBTL1MAPTRAB9A
SCHEMBL20299180 0.80 L3MBTL1 (0.79) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL6715818 0.80 HTT (0.65) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL20047179 0.79 PLAU (0.66) SMN1; SMN2LMNAHTTL3MBTL1MAPT

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
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 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-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 SMN1; SMN2 2828/4885LMNA 3718/4885HTT 571/4885

“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.