SCHEMBL25856751

SCHEMBL25856751

Brc1ccccc1-c1nc(-c2ccc3c(c2)N=NC3)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.57
▸ TP53 P04637 8/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ L3MBTL1 Q9Y468 6/20 0.57
▸ NFKB1 P19838 5/20 0.57
▸ NFKB2 Q00653 5/20 0.57
▸ RELA Q04206 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ NPC1 O15118 7/20 0.55
▸ POLB P06746 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40

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
SCHEMBL29859163 0.74 SMN1; SMN2 (0.81) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL3430034 0.74 SMN1; SMN2 (0.81) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL28653242 0.74 SMN1; SMN2 (1.00) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL25863479 0.70 SMN1; SMN2 (0.59) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL26095666 0.69 MAPT (0.72) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL23524022 0.68 SMN1; SMN2 (0.57) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL30355615 0.68 SMN1; SMN2 (0.57) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL30355391 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL23523724 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1
SCHEMBL30355707 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9AL3MBTL1NFKB1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885TP53 4030/4885RAB9A 3056/4885

“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.

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