SCHEMBL7128337

SCHEMBL7128337

Clc1nccc2c(-n3cccc3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CYP3A4 P08684 4/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
APEX1 P27695 1/20 0.47
PMP22 Q01453 1/20 0.47
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL26259567 0.78 ALDH1A1 (0.52) MAPTCYP3A4MAPK1LMNAALDH1A1
SCHEMBL951160 0.75 GAA (0.44) MAPTMAPK1LMNAALDH1A1GAA
SCHEMBL15366889 0.74 HSP90AA1 (0.46) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL12266517 0.73 LMNA (0.60) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL1315786 0.72 CYP1A2 (0.59) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL30892029 0.72 CYP1A2 (0.59) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL1536488 0.72 PIK3CD (0.47) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL3368704 0.71 LMNA (0.55) MAPTCYP3A4MAPK1LMNAAPEX1
Hydrochloric Acid SCHEMBL6999839 0.71 CYP1A2 (0.56) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL15367009 0.71 HSP90AA1 (0.52) CYP3A4CYP2C19CYP2C9CYP2D6

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MAPT 3896/4885CYP3A4 182/4885MAPK1 2263/4885

“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.