SCHEMBL6001864

SCHEMBL6001864

FC(F)(F)Oc1ccc(-c2cc(Cl)c3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.67
DHODH Q02127 1/20 0.56
IGF1R P08069 2/20 0.50
MAPT P10636 2/20 0.48
ACACA Q13085 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
ESR2 Q92731 1/20 0.44
ADORA2A P29274 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL29636789 0.81 MAPT (0.71) ACP1MAPTACACAKDM4EALDH1A1
SCHEMBL6534502 0.81 TOP1 (0.56) ACP1MAPTTRPV1ESRRBESR1
SCHEMBL6534318 0.81 MAPT (0.71) ACP1MAPTACACAKDM4EALDH1A1
SCHEMBL8536085 0.81 ACP1 (0.47) ACP1DHODHIGF1RMAPTKDM4E
SCHEMBL30592743 0.80 DHODH (0.58) DHODHMAPTACACAKDM4EALDH1A1
SCHEMBL17688773 0.80 ACP1 (1.00) ACP1DHODHMAPTACACAKDM4E
SCHEMBL4601706 0.80 DHODH (0.72) ACP1DHODHMAPTKDM4EALDH1A1
SCHEMBL29793367 0.80 ACHE (0.61) DHODHACACAKDM4EALDH1A1LMNA
SCHEMBL785473 0.80 ACHE (0.61) DHODHACACAKDM4EALDH1A1LMNA
SCHEMBL6001382 0.79 CYP19A1 (0.60) ACP1DHODHKDM4EALDH1A1LMNA

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ACP1 429/4885DHODH 855/4885IGF1R 1538/4885

“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.