SCHEMBL6294583

SCHEMBL6294583

O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
TP53 P04637 1/20 0.60
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
CNR1 P21554 4/20 0.54
P2RX1 P51575 2/20 0.52
MAPT P10636 1/20 0.52
SMO Q99835 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48

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
SCHEMBL6300626 0.91 HTT (0.72) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL6294961 0.87 HTT (0.60) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL6294912 0.84 GAA (0.74) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL6295717 0.81 GAA (0.70) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL975433 0.79 HTT (0.62) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL29970845 0.79 CHRNB2 (0.78) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL29201497 0.79 CHRNB2 (0.78) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL6294581 0.76 CNR1 (0.54) HTTCNR1MAPTPOLBNPC1
SCHEMBL6295710 0.76 GAA (0.74) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6294665 0.76 GAA (0.73) HTTTP53CHRNB2CHRNB4CHRNA3

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-6897316-B2 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-05-24 US disclosed
US-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-02-10 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-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHUK HTT 3738/4885TP53 1/4885CHRNB2 4807/4885

“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.