SCHEMBL6480163

SCHEMBL6480163

Cc1cc2cc(N)ccc2n1C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TSHR P16473 1/20 0.39
BRPF1 P55201 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CCR2 P41597 1/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
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
MAPK14 Q16539 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 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) AKR1C3AKR1C2NPC1MEN1MAPT
SCHEMBL6479624 0.86 BRPF1 (0.43) AKR1C3AKR1C2TSHRBRPF1TUBB1
SCHEMBL6489065 0.84 AKR1C3 (0.39) AKR1C3AKR1C2BRPF1TUBB1HPGD
SCHEMBL6490788 0.82 TUBB1 (0.50) AKR1C3AKR1C2BRPF1TUBB1NPC1
SCHEMBL6490326 0.80 RORC (0.44) AKR1C3AKR1C2CCR2HPGDALDH1A1
SCHEMBL6229626 0.78 AKR1C3 (0.50) AKR1C3AKR1C2BRPF1TUBB1CCR2
SCHEMBL6253573 0.78 BRPF1 (0.41) AKR1C3AKR1C2BRPF1TUBB1NPC1
SCHEMBL6480493 0.77 CNR2 (0.43) TSHRNPC1GLAHPGDCNR1
SCHEMBL6490426 0.77 RORC (0.38) AKR1C3AKR1C2TUBB1RORCCYP3A4
SCHEMBL6488118 0.77 TYK2 (0.45) AKR1C3AKR1C2NPC1ALDH1A1MEN1

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 1501/4885TSHR 3228/4885

“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.