SCHEMBL2895965

SCHEMBL2895965

CN(C)C(=O)CC1Cn2c(c(O)c(=O)n(C3CCCC3)c2=O)C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP2D6 P10635 3/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 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
Dimethylformamide SCHEMBL2895967 0.83 NPSR1 (0.41) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2898715 0.74 NPSR1 (0.48) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2900488 0.73 NPSR1 (0.47) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2898693 0.73 NPSR1 (0.47) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2898773 0.72 TSHR (0.46) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2891922 0.69 TP53 (0.43) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2895486 0.68 LMNA (0.40) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL2898763 0.67 TP53 (0.48) NPSR1TSHRSMN1; SMN2CRHBPCRHR2
SCHEMBL4750339 0.67 KCNH2 (0.36) SMN1; SMN2CYP2D6HRH1KCNH2POLB
SCHEMBL2899910 0.67 TSHR (0.41) NPSR1TSHRSMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (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 (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-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 NPSR1 3268/4885TSHR 2806/4885SMN1; SMN2 4701/4885
US-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP NPSR1 4362/4885TSHR 4386/4885SMN1; SMN2 3245/4885

“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.