SCHEMBL14452004

SCHEMBL14452004

CNCc1cc(-c2ccc(OC)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
CYP1A2 P05177 1/20 0.69
ALDH1A1 P00352 4/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
POLB P06746 2/20 0.64
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPT P10636 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
HPGD P15428 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KCNH2 Q12809 1/20 0.50
NAAA Q02083 1/20 0.48
CA12 O43570 1/20 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
SCHEMBL14438267 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL8279786 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL14591949 0.83 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL2898452 0.81 NOTUM (0.64) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL1221306 0.81 MAPT (0.66) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL1566577 0.81 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL1566524 0.81 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL14452037 0.81 POLB (0.68) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT
SCHEMBL23397340 0.81 NOTUM (0.62) SMN1; SMN2CYP1A2ALDH1A1LMNAPOLB
SCHEMBL6402396 0.80 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 SMN1; SMN2 4274/4885CYP1A2 1188/4885ALDH1A1 2070/4885

“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.