SCHEMBL22016725

SCHEMBL22016725

CC(C)(C)CC(C)(C)c1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.56
▸ DDAH1 O94760 1/20 0.47
▸ TXN P10599 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MASP2 O00187 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NUDT1 P36639 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42

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
SCHEMBL13073559 0.84 NPSR1 (0.58) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL22926257 0.81 NPSR1 (0.54) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL229852 0.81 NPSR1 (0.68) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL20476291 0.80 NPSR1 (0.53) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL846351 0.80 NPSR1 (0.66) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL30633367 0.80 NPSR1 (0.66) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL22734741 0.79 NPSR1 (0.51) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL14361622 0.79 NPSR1 (0.51) NPSR1DDAH1TXNALDH1A1KDM4E
SCHEMBL22017306 0.78 NPSR1 (0.44) NPSR1DDAH1ALDH1A1NPC1RAB9A
SCHEMBL22017033 0.78 NPSR1 (0.50) NPSR1DDAH1TXNALDH1A1KDM4E

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-10981899-B2 Inhibitors of soluble adenylyl cyclase CORNELL UNIVERSITY (US) 2021-04-20 — — US disclosed
US-20200157084-A1 INHIBITORS OF SOLUBLE ADENYLYL CYCLASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-05-21 — — 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-10981899-B2 Inhibitors of soluble adenylyl cyclase PDE7A, PDE6C, ADCYAP1R1 NPSR1 3082/4885DDAH1 891/4885TXN 3510/4885
US-20200157084-A1 INHIBITORS OF SOLUBLE ADENYLYL CYCLASE PDE7A, PDE6C, PDE8B NPSR1 3616/4885DDAH1 831/4885TXN 3521/4885

“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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