SCHEMBL21045306

SCHEMBL21045306

O=C(NCCCCc1ccccc1)Nc1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.90
KDM4E B2RXH2 1/20 0.90
KMT2A Q03164 7/20 0.81
MEN1 O00255 3/20 0.74
ALDH1A1 P00352 3/20 0.73
CNR1 P21554 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
LMNA P02545 2/20 0.72
TP53 P04637 1/20 0.72
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MAPT P10636 1/20 0.62

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
SCHEMBL9749089 0.98 EPHX1 (0.88) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12196188 0.95 EPHX1 (1.00) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL21045450 0.90 KMT2A (1.00) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL21045538 0.90 ALDH1A1 (0.92) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL4606056 0.88 EPHX1 (0.81) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL19420655 0.88 EPHX1 (0.83) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL9547553 0.88 EPHX1 (0.83) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093363 0.88 EPHX2 (0.77) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12218554 0.87 KMT2A (0.95) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093824 0.86 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-11-24 US disclosed
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-11-24 US disclosed
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2019-06-06 US disclosed
US-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2019-06-06 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 (4 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-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 EPHX1 4385/4885KDM4E 4285/4885KMT2A 4381/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 EPHX1 4385/4885KDM4E 4285/4885KMT2A 4381/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 EPHX1 4385/4885KDM4E 4285/4885KMT2A 4381/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 EPHX1 4385/4885KDM4E 4285/4885KMT2A 4381/4885

“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.