SCHEMBL21045504

SCHEMBL21045504

Cc1ccccc1NC(=O)NCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
ITGB3 P05106 2/20 0.65
ITGAV P06756 2/20 0.65
POLB P06746 2/20 0.62
MEN1 O00255 3/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 1/20 0.60
EPHX1 P07099 1/20 0.60
ITGB1 P05556 1/20 0.60
ITGA5 P08648 1/20 0.60
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL13996993 0.85 KDM4E (0.76) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL17079630 0.82 KMT2A (0.70) KMT2AITGB3ITGAVPOLBMEN1
SCHEMBL17084270 0.82 KMT2A (0.69) KMT2AITGB3ITGAVPOLBMEN1
SCHEMBL10362687 0.81 ALDH1A1 (0.70) KMT2APOLBMEN1HPGDSMN1; SMN2
SCHEMBL15093363 0.81 EPHX2 (0.77) KMT2APOLBMEN1HPGDRAB9A
SCHEMBL8175654 0.80 KDM4E (0.74) KMT2AITGB3ITGAVPOLBMEN1
SCHEMBL21045306 0.80 EPHX1 (0.90) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10362450 0.80 ALDH1A1 (0.68) KMT2APOLBMEN1HPGDSMN1; SMN2
SCHEMBL10362689 0.80 KMT2A (0.67) KMT2APOLBMEN1HPGDSMN1; SMN2
SCHEMBL21045538 0.80 ALDH1A1 (0.92) KMT2APOLBMEN1HPGDSMN1; 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 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 KMT2A 4381/4885ITGB3 4878/4885ITGAV 4867/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 KMT2A 4381/4885ITGB3 4878/4885ITGAV 4867/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 KMT2A 4381/4885ITGB3 4878/4885ITGAV 4867/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 KMT2A 4381/4885ITGB3 4878/4885ITGAV 4867/4885

“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.