SCHEMBL3415947

SCHEMBL3415947

COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)c1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.98
MEN1 O00255 3/20 0.98
ALDH1A1 P00352 2/20 0.98
MAPT P10636 2/20 0.98
KDM4E B2RXH2 1/20 0.98
CYP1A2 P05177 1/20 0.98
POLB P06746 1/20 0.98
HSP90AA1 P07900 1/20 0.98
HSP90AB1 P08238 1/20 0.98
HSPA1A P0DMV8 1/20 0.98
CYP2D6 P10635 1/20 0.98
CYP2C9 P11712 1/20 0.98
NR4A1 P22736 1/20 0.98
CYP2C19 P33261 1/20 0.98
PTPN7 P35236 1/20 0.98
RAB9A P51151 1/20 0.98
SMAD3 P84022 1/20 0.98
ESR2 Q92731 1/20 0.98
TDP1 Q9NUW8 1/20 0.98
CXCR6 O00574 11/20 0.85

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
SCHEMBL13856379 1.00 KMT2A (0.98) KMT2AMEN1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL2114038 0.99 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3478681 0.86 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL13857044 0.75 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1667825 0.73 RAB9A (0.73) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL2468483 0.73 NPC1 (0.71) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL31118803 0.73 CXCR6 (1.00) CXCR6
SCHEMBL22891539 0.73 CXCR6 (1.00) CXCR6
SCHEMBL11241115 0.72 RAB9A (0.75) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL8987225 0.72 MEN1 (0.84) KMT2AMEN1ALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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 (3 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM KMT2A 848/4885MEN1 1901/4885ALDH1A1 210/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD KMT2A 4047/4885MEN1 4323/4885ALDH1A1 3724/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM KMT2A 848/4885MEN1 1901/4885ALDH1A1 210/4885

“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.