SCHEMBL21965559

SCHEMBL21965559

O=C(c1cc(-c2ccco2)on1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.82
LMNA P02545 7/20 0.82
RAB9A P51151 6/20 0.82
NPC1 O15118 5/20 0.82
USP2 O75604 3/20 0.82
KDM4E B2RXH2 2/20 0.82
GAA P10253 1/20 0.82
HPGD P15428 3/20 0.64
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 6/20 0.56
PAX8 Q06710 1/20 0.56
TP53 P04637 3/20 0.55
RECQL P46063 2/20 0.55
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL21535885 0.78 RAB9A (0.78) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21536505 0.77 RAB9A (1.00) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21536261 0.73 SCD5 (0.72) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL15752125 0.71 HTR2A (0.64) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21536275 0.69 SCD5 (0.95) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21536507 0.69 SCD5 (0.78) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21523598 0.68 SCD5 (1.00) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL21536253 0.68 SCD5 (0.70) ALDH1A1LMNARAB9ANPC1USP2
SCHEMBL31023878 0.68 CACNA2D1 (0.65) KDM4EHPGDKMT2AMAPTMEN1
SCHEMBL31350717 0.68 MAOB (0.80) ALDH1A1LMNAUSP2KDM4EHPGD

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-20200138829-A1 METHODS OF CANCER TREATMENT Ferro Therapeutics, Inc. 2020-05-07 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-20200138829-A1 METHODS OF CANCER TREATMENT AIFM2, GPX4, DDIT3 ALDH1A1 1395/4885LMNA 2992/4885RAB9A 3332/4885

“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.