SCHEMBL31379986

SCHEMBL31379986

CCN(CC)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.49
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.48
TSHR P16473 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
STAT6 P42226 1/20 0.48
KCNH2 Q12809 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL22516298 0.89 KMT2A (0.57) KMT2AALDH1A1MAPK1GFERLMNA
SCHEMBL22516215 0.81 SIGMAR1 (0.70) KMT2AALDH1A1LMNASIGMAR1KDM4E
SCHEMBL22516271 0.80 SIGMAR1 (0.71) KMT2AALDH1A1LMNASIGMAR1KDM4E
SCHEMBL29374954 0.80 LMNA (0.54) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL22516038 0.80 LMNA (0.54) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL22501758 0.79 ACHE (0.56) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL29372738 0.79 SIGMAR1 (0.58) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL22516212 0.79 SIGMAR1 (0.58) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4818102 0.79 TMEM97 (0.73) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL22516043 0.78 CA1 (0.61) KMT2AALDH1A1KDM4EMEN1MAPT

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-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2024-12-19 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-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A KMT2A 4122/4885ALDH1A1 2857/4885MAPK1 1974/4885

“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.