SCHEMBL19733503

SCHEMBL19733503

O=CN1Cc2ccccc2/C=C\c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN4A P35499 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX4 Q99571 10/20 0.37
P2RX1 P51575 5/20 0.37
P2RX3 P56373 5/20 0.37
P2RX7 Q99572 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTBP1 P26599 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL24201458 0.74 LMNA (0.33) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL21065691 0.74 NPC1 (0.34) LMNAMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL24865833 0.74 NPC1 (0.37) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3453648 0.74 LMNA (0.36) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27662180 0.74 KMT2A (0.42) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL25774868 0.74 HSD17B3 (0.51) HSD17B3SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL19198881 0.72 HSD17B3 (0.42) HSD17B3LMNATSHRMAPK1SCN4A
SCHEMBL22297598 0.72 LMNA (0.41) HSD17B3LMNATSHRMAPK1SCN4A
SCHEMBL20149218 0.72 HSD17B3 (0.39) HSD17B3LMNATSHRMAPK1SCN4A
SCHEMBL31021296 0.71 DRD3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023065137-A1 SITE-SPECIFIC GLYCOPROTEIN CONJUGATES AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-04-27 WO disclosed
US-10335495-B2 Biomolecule conjugates CELGENE CORPORATION (US) 2019-07-02 US disclosed
WO-2017218796-A1 METABOLIC LABELING AND MOLECULAR ENHANCEMENT OF BIOLOGICAL MATERIALS USING BIOORTHOGONAL REACTIONS OTT HARALD C (US) 2017-12-21 WO disclosed
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 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-10335495-B2 Biomolecule conjugates DNPEP, NAPA, NCL HSD17B3 4314/4885LMNA 2251/4885TSHR 2150/4885
US-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL HSD17B3 4314/4885LMNA 2251/4885TSHR 2150/4885

“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.