SCHEMBL22624779

SCHEMBL22624779

Cc1cc(NC(=O)N2CCc3onc(C(=O)N[C@H](C)C(F)F)c3C2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
POLB P06746 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
APEX1 P27695 2/20 0.45
RECQL P46063 2/20 0.45
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
HSP90AA1 P07900 6/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL29430245 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22624651 0.93 HSP90AA1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22624676 0.91 MAPT (0.46) SMN1; SMN2MAPTHSP90AA1
SCHEMBL22624713 0.89 HSP90AA1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22624741 0.89 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29430246 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22624709 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22616254 0.82 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22616252 0.82 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22616260 0.80 CACNA1H (0.37) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
WO-2020221816-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO 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-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDKN1A, CDK2 NPC1 2398/4885RAB9A 2288/4885SMN1; SMN2 4850/4885

“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.