SCHEMBL3050558

SCHEMBL3050558

Cc1ccc(C(O)(C(=O)NCCn2ccnc2C)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
FDPS P14324 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
NOS1 P29475 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3038154 0.82 ADRA1D (0.46) NAMPTKMT2AALDH1A1KDM4EHTT
SCHEMBL3038931 0.78 CHRM2 (0.46) KMT2A
SCHEMBL3047648 0.78 CHRM2 (0.45)
SCHEMBL3043408 0.76 CNR1 (0.48) NAMPTKMT2AALDH1A1HTTCA12
SCHEMBL3042542 0.76 NAMPT (0.49) NAMPTALDH1A1HTTDGAT2
SCHEMBL3038961 0.73 ALDH1A1 (0.51) NAMPTKMT2AALDH1A1KDM4EHTT
SCHEMBL812138 0.73 ALDH1A1 (0.51) NAMPTKMT2AALDH1A1KDM4EHTT
SCHEMBL3040119 0.72 NAMPT (0.46) NAMPT
SCHEMBL10364646 0.72 MTNR1A (0.54) NAMPTKMT2AALDH1A1KDM4ECA12
SCHEMBL811127 0.70 CA12 (0.52) NAMPTKMT2AALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 NAMPT 3885/4885KMT2A 3010/4885ALDH1A1 1738/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B NAMPT 2256/4885KMT2A 1971/4885ALDH1A1 2460/4885

“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.