SCHEMBL5209760

SCHEMBL5209760

COc1sc(-c2ccc(NC(=O)CCN(C)CCC(=O)Nc3ccc(-c4sc(OC)c(C)c4OC)nc3)cn2)c(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN1 P18031 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
TERT O14746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5208138 0.81 PDPK1 (0.32)
SCHEMBL5205790 0.71 PTPN1 (0.41) KMT2AMAPTMEN1KDM4EPTPN1
SCHEMBL5205885 0.70 HIF1A (0.45) TP53KMT2AMAPTMEN1PTPN1
SCHEMBL5210739 0.69 HDAC3 (0.33) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL5208764 0.66 NPC1 (0.54) NPC1KMT2AMAPTMEN1PTPN1
SCHEMBL19002813 0.63 MEN1 (0.71) RAB9ANPC1TP53KMT2AMAPT
SCHEMBL19687997 0.62 KDM4E (0.48) RAB9ANPC1TP53KDM4EALDH1A1
SCHEMBL15747956 0.62 RAB9A (0.53) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL17694180 0.61 RAB9A (0.52) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL5207056 0.61 SMN1; SMN2 (0.50) KMT2AMAPTMEN1PTPN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 RAB9A 3915/4885NPC1 4280/4885TP53 4020/4885

“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.