SCHEMBL2789652

SCHEMBL2789652

CCOC(=O)c1n[nH]c2c(N)c(CC3OCCO3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
POLB P06746 2/20 0.44
AHR P35869 1/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 5/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
ALPL P05186 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
USP2 O75604 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
ESR1 P03372 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
SCHEMBL1966155 0.83 KDM4E (0.41) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL1963577 0.67 KDM4E (0.52) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL20895120 0.66 KDM4E (0.66) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL4101185 0.65 KDM4E (0.68) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL14190553 0.64 PDE4D (0.56) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL1967202 0.64 KDM4E (0.48) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL12090413 0.63 KDM4E (0.69) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL1515584 0.63 KDM4E (0.54) KDM4EPOLBKMT2ANPC1MAPT
SCHEMBL6053096 0.63 KDM4E (0.44) KDM4EPOLBKMT2ANPC1RAB9A
SCHEMBL1967065 0.63 KDM4E (0.56) KDM4EPOLBKMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KDM4E 3273/4885POLB 4652/4885AHR 683/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 KDM4E 3317/4885POLB 4649/4885AHR 698/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KDM4E 3273/4885POLB 4652/4885AHR 683/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 KDM4E 3317/4885POLB 4649/4885AHR 698/4885

“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.