SCHEMBL3301598

SCHEMBL3301598

O=C(Cc1ccccc1NC1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GLA P06280 1/20 0.59
LMNA P02545 5/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 4/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LTA4H P09960 5/20 0.53
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
ALOX15 P16050 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
SCHEMBL1181333 0.92 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL3302462 0.86 LMNA (0.70) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL1182072 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL1182046 0.83 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL1182217 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL1182373 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5314942 0.82 LTA4H (0.73) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL3301180 0.82 LMNA (0.68) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL5659325 0.82 LMNA (0.70) ALDH1A1MEN1KMT2AGLALMNA
SCHEMBL1181541 0.82 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2010-04-22 US 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-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIGO, PNMT, CAT ALDH1A1 170/4885MEN1 1483/4885KMT2A 2819/4885

“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.