SCHEMBL5656126

SCHEMBL5656126

N#CCc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1B1 Q16678 2/20 0.48
HIF1A Q16665 1/20 0.48
HPRT1 P00492 3/20 0.46
AKR1B1 P15121 1/20 0.45
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
TNF P01375 1/20 0.42
ANPEP P15144 1/20 0.41
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL11257462 0.90 AKR1B1 (0.59) TDP1KDM4EPDPK1ALDH1A1HSD17B10
SCHEMBL29448325 0.84 KDM4E (0.62) TDP1KDM4ECYP2A6CYP1A2PTPRC
SCHEMBL348813 0.84 KDM4E (0.62) TDP1KDM4ECYP2A6CYP1A2PTPRC
SCHEMBL10400267 0.80 KDM4E (0.53) TDP1KDM4EPDPK1CYP1B1CYP1A2
SCHEMBL6561661 0.80 KDM4E (0.59) TDP1KDM4ECYP2A6CYP1A2TNF
SCHEMBL10865965 0.79 KDM4E (0.51) TDP1KDM4EPDPK1ALDH1A1HSD17B10
SCHEMBL10392250 0.79 KDM4E (0.51) TDP1KDM4EPDPK1ALDH1A1CYP2A6
Isobutane SCHEMBL11549320 0.78 KDM4E (0.55) TDP1KDM4ECYP2A6CYP1A2PTPRC
SCHEMBL14077416 0.78 KDM4E (0.55) TDP1KDM4EPDPK1CYP2A6CYP1A2
SCHEMBL10391434 0.76 KDM4E (0.53) TDP1KDM4EPDPK1CYP1B1CYP1A2

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
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 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 (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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R TDP1 4800/4885KDM4E 2685/4885PDPK1 1122/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R TDP1 4791/4885KDM4E 2743/4885PDPK1 1118/4885

“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.