SCHEMBL4131157

SCHEMBL4131157

CNCc1ccnc(-c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
BRD4 O60885 7/20 0.43
HTR7 P34969 2/20 0.43
SYK P43405 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PDE5A O76074 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
SCHEMBL4117314 0.86 KCNH2 (0.39) GAABRD4HTR7SYKNPC1
SCHEMBL5201716 0.84 CD274 (0.52) GAAALDH1A1
SCHEMBL13813556 0.84 PTGS2 (0.53) GAABRD4SYKNPC1ALDH1A1
SCHEMBL4109868 0.82 FYN (0.50) GAABRD4SYKNPC1ALDH1A1
SCHEMBL4120272 0.82 GAA (0.46) GAABRD4SYKNPC1ALDH1A1
SCHEMBL4122811 0.82 LOXL2 (0.53) GAABRD4SYKNPC1ALDH1A1
SCHEMBL5202347 0.82 GAA (0.47) GAABRD4
SCHEMBL6191706 0.78 GAA (0.41) GAABRD4NPC1ALDH1A1MAPT
SCHEMBL5679827 0.78 TUBB1 (0.45) GAABRD4SYKNPC1ALDH1A1
SCHEMBL4763764 0.78 TGFBR1 (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 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 (4 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 GAA 3681/4885BRD4 27/4885HTR7 1490/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 GAA 3222/4885BRD4 1432/4885HTR7 3747/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 GAA 3222/4885BRD4 1432/4885HTR7 3747/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 GAA 4050/4885BRD4 1020/4885HTR7 414/4885

“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.