SCHEMBL25645264

SCHEMBL25645264

CCNC(=O)c1c(C)cn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
BRD4 O60885 2/20 0.43
TSHR P16473 2/20 0.37
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PKMYT1 Q99640 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL28280222 0.72 POLB (0.38) MAPTBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL1002276 0.71 TAS1R3 (0.47) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL4141231 0.71 L3MBTL1 (0.50) MAPTTSHRKDM4EHSD17B10ALDH1A1
SCHEMBL23515416 0.70 MEN1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL28266985 0.70 NPC1 (0.33) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21412862 0.69 CYP1A2 (0.46) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13753976 0.69 KDM4E (0.69) MAPTTHRBTSHRKDM4EHSD17B10
SCHEMBL23498959 0.68 S1PR2 (0.47) ALDH1A1SMN1; SMN2CYP1A2TP53
SCHEMBL18723265 0.68 L3MBTL1 (0.46) BRD4KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL21810315 0.67 ALDH1A1 (0.42) MAPTTHRBKDM4EHSD17B10ALDH1A1

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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 MAPT 4/4885THRB 2557/4885BRD4 1888/4885

“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.