SCHEMBL9893643

SCHEMBL9893643

Cc1cccc(-c2nc(C(=O)O)c(-c3ccc(F)c(Cl)c3)n2-c2cccc(Cl)c2F)c1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.88
NOTUM Q6P988 1/20 0.46
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PIN1 Q13526 1/20 0.40
KMO O15229 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
RPA1 P27694 1/20 0.38
RIPK1 Q13546 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL9893854 0.94 MDM2 (0.77) MDM2NOTUMAKR1C2AKR1C1PIN1
SCHEMBL28796347 0.94 MDM2 (0.88) MDM2NOTUMKMOHTR2AHTR2C
SCHEMBL9893724 0.94 MDM2 (1.00) MDM2NOTUMKMOHTR2AHTR2C
SCHEMBL1437176 0.93 MDM2 (0.90) MDM2NOTUMPIN1KMOHTR2A
SCHEMBL1438150 0.93 MDM2 (0.88) MDM2NOTUMAKR1C2AKR1C1PIN1
SCHEMBL1437130 0.91 MDM2 (0.86) MDM2NOTUMKMOHTR2AHTR2C
SCHEMBL9893785 0.90 MDM2 (0.72) MDM2AKR1C2AKR1C1PIN1KMO
SCHEMBL27879077 0.88 MDM2 (0.88) MDM2NOTUMPIN1HTR2AHTR2C
SCHEMBL9893873 0.88 MDM2 (0.68) MDM2
SCHEMBL9894206 0.88 MDM2 (0.83) MDM2AKR1C2AKR1C1PIN1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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 (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 MDM2 2/4885NOTUM 4675/4885AKR1C2 2965/4885

“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.