SCHEMBL6540716

SCHEMBL6540716

COc1ccc(Sc2ccc(CNCc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.55
BCHE P06276 2/20 0.55
LTA4H P09960 1/20 0.55
RAB9A P51151 1/20 0.52
CHRM2 P08172 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 2/20 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
SCHEMBL6540682 0.90 MEN1 (0.72) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL1279045 0.89 HTT (0.73) HTTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6540970 0.82 BCHE (0.59) HTTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL121529 0.82 CHRM2 (0.70) HTTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL8493646 0.81 HTT (0.82) HTTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2272158 0.80 CA4 (0.59) HTTALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2147064 0.80 CHRM2 (0.68) HTTKDM4EALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL9479560 0.80 CHRM2 (0.68) HTTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7484129 0.78 LTA4H (0.67) HTTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL10032816 0.78 MEN1 (0.85) HTTKDM4EALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HTT 1971/4885KDM4E 2107/4885ALDH1A1 188/4885

“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.