SCHEMBL2487299

SCHEMBL2487299

Cc1cc(-c2ccn[nH]c2=O)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 3/20 0.43
RXRA P19793 3/20 0.43
PRKCQ Q04759 2/20 0.42
NOTUM Q6P988 3/20 0.37
SLC5A1 P13866 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
RXRG P48443 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2326304 0.87 NOTUM (0.40) PRKCQNOTUMKDM4EALDH1A1CNR1
SCHEMBL6832594 0.75 CYP19A1 (0.36) NPC1RAB9A
SCHEMBL2473305 0.75 KMT2A (0.42) NOTUMKDM4EALDH1A1LMNATNKS
SCHEMBL1542864 0.74 RXRA (0.44) RXRBRXRAKDM4EALDH1A1TNKS
SCHEMBL1542185 0.72 RXRA (0.42) RXRBRXRANOTUMKDM4ECNR1
SCHEMBL1348089 0.71 CYP3A4 (0.48) KIF11
SCHEMBL1348091 0.71 CYP3A4 (0.48) KIF11
SCHEMBL3340311 0.71 NOTUM (0.36) NOTUMKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3094563 0.70 NOTUM (0.56) NOTUMP2RX7
SCHEMBL1456892 0.70 HCAR2 (0.41) NOTUMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256968-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2011-11-23 CN claimed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 RXRB 386/4885RXRA 498/4885PRKCQ 3314/4885

“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.