SCHEMBL4568057

SCHEMBL4568057

COc1ccc(CC(=O)c2ccccc2Cl)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
TOP1 P11387 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL4568050 0.88 NPC1 (0.50) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL4568058 0.87 RAB9A (0.44) KMT2AALDH1A1MAPTRAB9APOLB
SCHEMBL4568012 0.84 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL15998636 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTCNR1
SCHEMBL4568062 0.83 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL4568061 0.82 NPC1 (0.46) KMT2AMEN1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL4568067 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL7963161 0.81 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL4568068 0.81 TAS1R3 (0.50) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL4568060 0.80 SMN1; SMN2 (0.42) KMT2AMEN1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KMT2A 2056/4885MEN1 2993/4885ALDH1A1 422/4885

“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.