SCHEMBL4833244

SCHEMBL4833244

Cn1ncc(/C=C/C(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HTR2A P28223 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNC P24863 7/20 0.40
CDK8 P49336 7/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
CDK19 Q9BWU1 1/20 0.40
ENPP2 Q13822 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
FLT1 P17948 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
SCHEMBL4833270 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1USP2HTR2A
SCHEMBL4833850 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1USP2HTR2A
SCHEMBL4834237 0.89 NPC1 (0.42) KMT2AHTR2ACCNCCDK8LMNA
SCHEMBL4834263 0.89 NPC1 (0.42) KMT2AHTR2ACCNCCDK8LMNA
SCHEMBL4834605 0.89 BTK (0.45) KMT2AMEN1ALDH1A1USP2HTR2A
SCHEMBL4833435 0.89 HDAC1 (0.44) KMT2AMEN1HTR2ACCNCCDK8
SCHEMBL4833418 0.89 HDAC1 (0.44) KMT2AMEN1HTR2ACCNCCDK8
SCHEMBL4827118 0.89 CCNC (0.47) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL4827126 0.89 CCNC (0.47) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL4833842 0.85 HTR2A (0.43) KMT2AMEN1ALDH1A1USP2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KMT2A 1653/4885MEN1 3516/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KMT2A 1653/4885MEN1 3516/4885ALDH1A1 2652/4885

“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.