SCHEMBL6739807

SCHEMBL6739807

Clc1cccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5cccc(Cl)c5)CC4)n3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.63
▸ GAA P10253 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL1124210 0.92 AKR1C3 (0.58) AKR1C3GAAGFERMAPTALDH1A1
SCHEMBL5539261 0.89 AKR1C3 (0.71) AKR1C3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5539252 0.89 AKR1C3 (0.71) AKR1C3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6740206 0.82 LMNA (0.70) AKR1C3GAAMAPTALDH1A1LMNA
SCHEMBL11394205 0.80 GAA (0.58) GAAGFERMAPTALDH1A1LMNA
SCHEMBL6714846 0.80 ALDH1A1 (0.75) MAPTALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL11100857 0.80 ALDH1A1 (0.75) MAPTALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL1821402 0.80 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL1123884 0.79 MAPT (0.57) AKR1C3GAAGFERMAPTALDH1A1
SCHEMBL3878738 0.78 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1

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 AKR1C3 2045/4885GAA 3835/4885GFER 4681/4885

“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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