SCHEMBL1124210

SCHEMBL1124210

Clc1cccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.58
▸ GAA P10253 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ THRB P10828 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL6739807 0.92 AKR1C3 (0.63) AKR1C3GAAGFERMAPTLMNA
SCHEMBL1123884 0.86 MAPT (0.57) AKR1C3GAAGFERMAPTLMNA
SCHEMBL1123979 0.86 HTT (0.62) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1123614 0.86 HTT (0.62) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1124300 0.86 HTT (0.62) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1821402 0.84 PIK3CA (0.78) PIK3CAPIK3CB
SCHEMBL5539252 0.84 AKR1C3 (0.71) AKR1C3MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5539261 0.84 AKR1C3 (0.71) AKR1C3MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1124059 0.80 HTT (0.52) AKR1C3GAAMAPTLMNAALDH1A1
SCHEMBL1124098 0.80 POLB (0.59) MAPTLMNAKMT2APIK3CAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 — — US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 — — EP claimed

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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 AKR1C3 1628/4885GAA 1118/4885GFER 1505/4885

“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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