SCHEMBL5751693

SCHEMBL5751693

O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCN(c2cccc(CO)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC27A1 Q6PCB7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.44
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5751904 0.85 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2SLC27A1
SCHEMBL5751095 0.83 SMO (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2SLC27A1
SCHEMBL21715166 0.81 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2SLC27A1
SCHEMBL31091138 0.81 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2SLC27A1
SCHEMBL5750395 0.80 SMN1; SMN2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL22768015 0.78 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL5761581 0.76 MGLL (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL1384337 0.75 MGLL (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL1383740 0.75 ALDH1A1 (0.46) CYP1A2CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL5758459 0.75 MGLL (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1

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
EP-1651602-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-05-03 EP disclosed
WO-2005009947-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2005-02-03 WO disclosed
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 CYP1A2 1664/4885CYP2C9 2724/4885CYP2C19 3163/4885

“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.