SCHEMBL4033336

SCHEMBL4033336

COC(=O)c1nc(-c2sccc2NC(=O)NCc2csc(-c3ccccc3)n2)n(C)c(=O)c1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ENPP2 Q13822 2/20 0.38
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4026082 0.83 ERCC1 (0.46) RAB9ASMN1; SMN2NPC1TP53NFKB1
SCHEMBL4032051 0.79 RAB9A (0.40) ACKR3RAB9ASMN1; SMN2NPC1TP53
SCHEMBL4032112 0.73 ALDH1A1 (0.34) SMN1; SMN2PKMTSHRHSD17B10ALDH1A1
SCHEMBL4026532 0.72 ERCC1 (0.33) RAB9ASMN1; SMN2NPC1TSHRHSD17B10
SCHEMBL4030445 0.72 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL4026329 0.71 ALDH1A1 (0.35) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4031788 0.70 MEN1 (0.41) RAB9ASMN1; SMN2NPC1PKMHPGD
SCHEMBL4024448 0.67 F2 (0.39) ALDH1A1MAPT
SCHEMBL6631262 0.67 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGD
SCHEMBL4028018 0.67 ERCC1 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ACKR3 1178/4885RAB9A 1869/4885SMN1; SMN2 3563/4885

“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.