SCHEMBL20003767

SCHEMBL20003767

CCCC(CC)c1nn(C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
SSTR4 P31391 1/20 0.38
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK13 O15264 1/20 0.35
EIF2AK2 P19525 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TSHR P16473 4/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19308896 0.87 CNR2 (0.36) KDM4ESSTR4CNR2PGRRORA
SCHEMBL19954900 0.83 KDM4E (0.42) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL20458071 0.79 KDM4E (0.44) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL12535855 0.78 KDM4E (0.43) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL2738313 0.74 KDM4E (0.49) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL16256140 0.71 KDM4E (0.46) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL12535857 0.71 KDM4E (0.50) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL22308330 0.71 KDM4E (0.46) KDM4ESSTR4LMNACNR1CNR2
SCHEMBL19493354 0.70 IDO1 (0.54) KDM4ELMNAPOLBMAPTTDP1
SCHEMBL19997252 0.70 KDM4E (0.52) KDM4ECNR1CNR2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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 (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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS KDM4E 4699/4885SSTR4 3375/4885LMNA 2136/4885
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 KDM4E 2624/4885SSTR4 618/4885LMNA 3483/4885

“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.