SCHEMBL1444103

SCHEMBL1444103

COC(=O)c1c[nH]nc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAP2K1 Q02750 1/20 0.40
NR4A2 P43354 6/20 0.40
CREBBP Q92793 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL416936 0.79 KMT2A (0.49) TSHRLMNAKDM4EGAAALDH1A1
SCHEMBL12996189 0.79
SCHEMBL69295 0.78 NPSR1 (0.48) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL719512 0.78 TSHR (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL165475 0.78 TSHR (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL14438179 0.78 TSHR (0.44) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL2794458 0.76 TSHR (0.50) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL16647981 0.76 NR4A2 (0.43) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL719835 0.73 LMNA (0.40) TSHRMAP2K1NR4A2CREBBPMAPK1
SCHEMBL717700 0.73 TSHR (0.40) TSHRMAP2K1NR4A2CREBBPMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 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 (1 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 TSHR 2350/4885MAP2K1 2347/4885NR4A2 35/4885

“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.