SCHEMBL6489065

SCHEMBL6489065

Cc1cc2cc(N)ccc2n1C(=O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BRPF1 P55201 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
IKBKE Q14164 1/20 0.37

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
SCHEMBL6494742 0.91 AKR1C3 (0.40) AKR1C3AKR1C2GAAL3MBTL1
SCHEMBL6490426 0.89 RORC (0.38) AKR1C3AKR1C2TUBB1
SCHEMBL6479624 0.86 BRPF1 (0.43) AKR1C3AKR1C2BRPF1TUBB1LMNA
SCHEMBL6480163 0.84 AKR1C3 (0.44) AKR1C3AKR1C2BRPF1TUBB1LMNA
SCHEMBL6490788 0.82 TUBB1 (0.50) AKR1C3AKR1C2BRPF1TUBB1LMNA
SCHEMBL6480444 0.80 MAPT (0.42) LMNASMN1; SMN2HTTALDH1A1HPGD
SCHEMBL6253573 0.78 BRPF1 (0.41) AKR1C3AKR1C2BRPF1TUBB1SMN1; SMN2
SCHEMBL6749324 0.76 BRPF1 (0.46) AKR1C3AKR1C2BRPF1TUBB1GAA
SCHEMBL6489116 0.75 HSD17B10 (0.44) LMNASMN1; SMN2GAAHTTJAK1
SCHEMBL6480722 0.74 NPSR1 (0.49) LMNASMN1; SMN2KDM4EALDH1A1HPGD

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-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 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-20050215614-A1 Substituted indoles and their use as hcv inhibitors IDO1, IDO2, HAVCR2 AKR1C3 1399/4885AKR1C2 1501/4885BRPF1 3594/4885

“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.