SCHEMBL98458

SCHEMBL98458

O=[C]c1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
HDAC4 P56524 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.40
TP53 P04637 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6851900 0.81 KDM4E (0.58) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL19995035 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL44890 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL6854286 0.78 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6852136 0.78 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL27812665 0.77 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL27014426 0.76 KDM4E (0.49) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL173885 0.75 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1KMT2A
SCHEMBL3152059 0.75 LMNA (0.56) KDM4EALDH1A1KMT2AMEN1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-102089279-A Biaryl PDE4 inhibitors for treating inflammation DECODE GENETICS EHF 2011-06-08 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 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 (5 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB NOTUM 2694/4885KDM4E 1125/4885ALDH1A1 2948/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 NOTUM 484/4885KDM4E 3426/4885ALDH1A1 3275/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NOTUM 2892/4885KDM4E 3919/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NOTUM 2892/4885KDM4E 3919/4885ALDH1A1 2458/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 NOTUM 1200/4885KDM4E 1277/4885ALDH1A1 14/4885

“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.