SCHEMBL6741337

SCHEMBL6741337

CCCOc1nc(-c2cc(Br)ccc2OC)nc(-c2cc(Br)ccc2OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PPARG P37231 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ MGAM O43451 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 3/20 0.39

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
SCHEMBL13010769 0.74 HPGD (0.55) NPC1RAB9ATSHRLMNAMAPT
SCHEMBL21823421 0.74 HPGD (0.55) NPC1RAB9ATSHRALDH1A1LMNA
SCHEMBL9566435 0.73 MGAM (0.54) POLBNPC1RAB9ATSHRHTT
SCHEMBL30957326 0.72 NPC1 (0.56) POLBNPC1RAB9ATSHRHTT
SCHEMBL3907740 0.71 NPC1 (0.49) POLBNPC1RAB9ATSHRHTT
SCHEMBL3917166 0.71 NPC1 (0.49) POLBNPC1RAB9ATSHRHTT
SCHEMBL14125145 0.71 GAA (0.56) POLBNPC1RAB9ATSHRHTT
SCHEMBL30957312 0.69 NPC1 (0.51) POLBNPC1RAB9ATSHRHTT
SCHEMBL7928370 0.68 HPGD (0.60) POLBNPC1RAB9ATSHRHTT
SCHEMBL9566569 0.67 DHFR (0.44) POLBNPC1RAB9ATSHRAGPAT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 — — US claimed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 — — WO claimed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 — — 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 POLB 3482/4885NPC1 3477/4885RAB9A 2270/4885

“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.

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