SCHEMBL8404444

SCHEMBL8404444

Cc1cc2c(C)cccc2nn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
MAPT P10636 5/20 0.66
NPSR1 Q6W5P4 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
TDP2 O95551 1/20 0.66
NSD2 O96028 1/20 0.66
POLB P06746 1/20 0.66
BLM P54132 1/20 0.66
KMT2A Q03164 1/20 0.66
HSD17B10 Q99714 1/20 0.66
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2A6 P11509 3/20 0.44
RAB9A P51151 1/20 0.43
GPR3 P46089 1/20 0.42
PKM P14618 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41

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
SCHEMBL1855139 0.79 KDM4E (1.00) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL30312638 0.79 MAPT (0.61) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL31179244 0.79 KDM4E (1.00) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL17618312 0.76 KDM4E (0.58) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL9295635 0.75 ALDH1A1 (0.51) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL19706099 0.71 KDM4E (0.51) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL14257737 0.71 MAPT (0.51) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL17776528 0.70 KDM4E (0.68) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL3884735 0.70 CYP1A2 (0.44) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL862361 0.70 PDE3B (0.49) ALDH1A1HSD17B10CYP1A2CYP2A6GPR3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 EP disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (6 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B KDM4E 642/4885MAPT 4154/4885NPSR1 1540/4885
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1109/4885MAPT 303/4885NPSR1 3536/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885MAPT 267/4885NPSR1 3601/4885
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R KDM4E 3411/4885MAPT 2168/4885NPSR1 29/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 KDM4E 212/4885MAPT 3261/4885NPSR1 69/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDM4E 1104/4885MAPT 2178/4885NPSR1 4013/4885

“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.