SCHEMBL1966155

SCHEMBL1966155

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
IGF1R P08069 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
MITF O75030 1/20 0.34
ESR1 P03372 1/20 0.34
LMNA P02545 3/20 0.33
USP2 O75604 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2789652 0.83 KDM4E (0.44) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL1967202 0.79 KDM4E (0.48) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL1967065 0.72 KDM4E (0.56) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL3463863 0.68 PDE4D (0.50) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL30910165 0.66 KDM4E (0.43) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL1176020 0.65 KDM4E (0.60) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL1963577 0.64 KDM4E (0.52) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL20531481 0.63 KDM4E (0.48) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL9912567 0.63 ABCC8 (0.43) KDM4EPOLBMAPTKMT2APTGS1
SCHEMBL954612 0.61 ALDH1A1 (0.46) KDM4EPOLBMAPTKMT2APTGS1

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 9 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
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP 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 4652/4885MAPT 429/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 KDM4E 3317/4885POLB 4649/4885MAPT 456/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KDM4E 3273/4885POLB 4652/4885MAPT 429/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 KDM4E 3317/4885POLB 4649/4885MAPT 456/4885

“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.