SCHEMBL21552590

SCHEMBL21552590

Cc1cccc(Sc2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
GRM5 P41594 1/20 0.37
HPGD P15428 2/20 0.36
GFER P55789 1/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8679444 0.80 HSD17B1 (0.36) SMN1; SMN2ACHEALDH1A1
SCHEMBL452473 0.78 ALDH1A1 (0.35) NOTUMSMN1; SMN2HPGDMAPTKDM4E
SCHEMBL6552282 0.77 ALDH1A1 (0.34) NOTUMSMN1; SMN2HPGDMAPTHTT
SCHEMBL3293517 0.77 ALDH1A1 (0.34) NOTUMSMN1; SMN2HPGDMAPTHTT
SCHEMBL9594853 0.74 TSHR (0.39) SMN1; SMN2ALDH1A1
SCHEMBL575896 0.73 ACHE (0.58) NOTUMHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL29543680 0.73 ACHE (0.58) NOTUMHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL29468631 0.73 ACHE (0.58) NOTUMHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL10710202 0.69 ACHE (0.52) NOTUMHTR1AHTR3ASMN1; SMN2IDO1
SCHEMBL3894284 0.68 ACHE (0.50) HTR1AHTR3ASMN1; SMN2IDO1GRM5

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
US-20210380629-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTOACTIVATED AGENTS VIBRANT HOLDINGS, LLC 2021-12-09 US disclosed
EP-3790985-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS Vibrant Holdings, LLC (US) 2021-03-17 EP disclosed
WO-2019217704-A9 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS VIBRANT HOLDINGS, LLC (US) 2020-12-10 WO disclosed
WO-2019217704-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS VIBRANT HOLDINGS, LLC (US) 2019-11-14 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-20210380629-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTOACTIVATED AGENTS POLN, PCNA, POLM NOTUM 4127/4885HTR1A 4108/4885HTR3A 3825/4885

“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.