SCHEMBL21045356

SCHEMBL21045356

Sc1nnc(C2CC2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
AVPR1A P37288 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MFN2 O95140 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL5334498 0.92 ALDH1A1 (0.45) HTTALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL12892262 0.83 AVPR1A (0.45) HTTALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL22404799 0.79 AVPR1A (0.66) HTTALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL11460990 0.78 MEN1 (0.45) HTTALDH1A1HSD17B10L3MBTL1AVPR1A
SCHEMBL11537005 0.77 HCAR1 (0.47) HTTALDH1A1ALOX15HSD17B10AVPR1A
SCHEMBL11538651 0.75 GRM2 (0.37) HTTALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL6406092 0.75 MEN1 (0.46) HTTALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL13446998 0.73 ALDH1A1 (0.31) HTTALDH1A1ALOX15HSD17B10
SCHEMBL1816886 0.70 AVPR1A (0.49) HTTALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL14557053 0.70 NTRK1 (0.42) MEN1KMT2ALMNA

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-20240366540-A1 MITOFUSIN INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE 2024-11-07 US disclosed
EP-4444284-A1 MITOFUSIN INHIBITORS AND USES THEREOF Albert Einstein College of Medicine (US) 2024-10-16 EP disclosed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
WO-2023107880-A1 MITOFUSIN INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-06-15 WO disclosed
WO-2023107880-A1 MITOFUSIN INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-06-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HTT 403/4885ALDH1A1 4127/4885ALOX15 3106/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 HTT 403/4885ALDH1A1 4127/4885ALOX15 3106/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 HTT 403/4885ALDH1A1 4127/4885ALOX15 3106/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 HTT 403/4885ALDH1A1 4127/4885ALOX15 3106/4885
US-20240366540-A1 MITOFUSIN INHIBITORS AND USES THEREOF TFAM, MFN2, MAVS HTT 3089/4885ALDH1A1 2950/4885ALOX15 3865/4885

“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.