SCHEMBL2724092

SCHEMBL2724092

Nc1cc(C(=O)O)cc(N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.60
POLB P06746 1/20 0.47
PIK3CA P42336 2/20 0.47
LMNA P02545 3/20 0.44
PRKDC P78527 3/20 0.44
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL27893364 0.88 KMO (0.70) KMOPOLBPIK3CALMNAPRKDC
SCHEMBL1172714 0.87 KMO (0.49) KMOPOLBPIK3CALMNAPRKDC
SCHEMBL6167412 0.87 KMO (0.48) KMOLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2724983 0.83 ALDH1A1 (0.56) KMOPOLBLMNASMN1; SMN2NPC1
SCHEMBL4757032 0.82 KMO (0.62) KMOPOLBPIK3CALMNAPRKDC
SCHEMBL2711618 0.82 KMO (0.44) KMOPIK3CALMNAPRKDCGSK3B
SCHEMBL1927184 0.82 KMO (0.44) KMOPIK3CALMNASMN1; SMN2NPC1
SCHEMBL2712184 0.82 MRGPRX4 (0.49) KMOPIK3CALMNAPRKDCSMN1; SMN2
SCHEMBL2727147 0.81 ADRA2C (0.51) LMNASMN1; SMN2NPC1HDAC3HDAC4
SCHEMBL593762 0.81 KMO (0.60) KMOPOLBPIK3CAPRKDCGSK3B

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
WO-2017050994-A1 DYE COMPOSITION USING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE PARTICULAR AMINOBENZENE COUPLER, PROCESSES AND DEVICE L'OREAL (FR) 2017-03-30 WO disclosed
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 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 (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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB KMO 400/4885POLB 1119/4885PIK3CA 868/4885
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR KMO 1532/4885POLB 712/4885PIK3CA 3805/4885

“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.