SCHEMBL5236404

SCHEMBL5236404

CC(C)(C)c1ccc(-c2ccc(N3CCCN(c4ccc(-c5ccc(C(C)(C)C)cc5)cn4)CC3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 9/20 0.46
DGAT1 O75907 1/20 0.46
SOAT1 P35610 1/20 0.46
KCNH2 Q12809 1/20 0.46
PANK3 Q9H999 2/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.43
KIF11 P52732 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
SCHEMBL13248473 0.85 KDM4E (0.51) PKMALDH1A1LMNATRPV1KDM4E
SCHEMBL5623553 0.84 KDM4E (0.59) PKMKDM4EPOLBDGAT1SOAT1
SCHEMBL5238912 0.82 CNR2 (0.56) KDM4ECNR2DGAT1KCNH2CNR1
SCHEMBL9906416 0.82 TRPV1 (0.52) PKMALDH1A1LMNATRPV1KDM4E
SCHEMBL10331339 0.80 TRPV1 (0.51) PKMALDH1A1LMNATRPV1KDM4E
SCHEMBL5239673 0.80 CNR2 (0.58) ALDH1A1KDM4ECNR2KCNH2MAPK1
SCHEMBL14349623 0.80 KDM4E (0.48) PKMALDH1A1LMNATRPV1KDM4E
SCHEMBL5238753 0.79 DRD4 (0.55) PKMKDM4ECNR2CNR1
SCHEMBL5235836 0.79 CNR2 (0.63) CNR2MAPTCNR1
SCHEMBL5230796 0.78 CNR2 (0.47) KDM4ECNR2KCNH2MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH PKM 1111/4885ALDH1A1 1072/4885LMNA 1955/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 PKM 1116/4885ALDH1A1 868/4885LMNA 1526/4885

“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.