SCHEMBL6540510

SCHEMBL6540510

COc1ccc(Sc2ccc(CCNCc3ccccc3)cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.57
HTT P42858 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GLA P06280 1/20 0.55
NLRP3 Q96P20 1/20 0.54
HTR2A P28223 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 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
SCHEMBL7279400 0.86 ALDH1A1 (0.72) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1966824 0.85 KDM4E (0.74) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5031143 0.85 BCHE (0.74) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6540682 0.84 MEN1 (0.72) BCHEALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL11451398 0.84 KDM4E (0.72) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6540001 0.84 KDM4E (0.63) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6539074 0.83 KMT2A (0.53) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6540970 0.80 BCHE (0.59) BCHEHTTALDH1A1KDM4ESMN1; SMN2
Acetic Acid SCHEMBL28722943 0.79 HTT (0.76) BCHEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL29207901 0.79 SMN1; SMN2 (0.66) BCHEHTTALDH1A1KDM4ESMN1; SMN2

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 BCHE 2596/4885HTT 1971/4885ALDH1A1 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.