SCHEMBL17985425

SCHEMBL17985425

O=[N+]([O-])c1ccc(Br)cc1Sc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 11/20 0.55
▸ PDE7B Q9NP56 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC6A4 P31645 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL5111726 0.85 PDE7A (0.74) PDE7APDE7BSMN1; SMN2SLC6A4LMNA
SCHEMBL1342485 0.82 PDE7A (0.64) PDE7APDE7BSMN1; SMN2SLC6A4LMNA
SCHEMBL13236392 0.82 PDE7A (0.70) PDE7APDE7BSMN1; SMN2SLC6A4LMNA
SCHEMBL2003379 0.76 SLC6A2 (0.40) SMN1; SMN2SLC6A4LMNAPOLBALDH1A1
SCHEMBL2960424 0.73 SLC6A4 (0.61) PDE7APDE7BSMN1; SMN2SLC6A4LMNA
SCHEMBL29399835 0.73 TDP1 (0.64) MAPTPKMATMTDP1ALDH1A1
SCHEMBL6619 0.73 TDP1 (0.64) MAPTPKMATMTDP1ALDH1A1
SCHEMBL17985415 0.73 SLC6A4 (0.38) PDE7ASMN1; SMN2SLC6A4MAPTMEN1
SCHEMBL8381179 0.73 PDE7A (0.43) PDE7APDE7BSMN1; SMN2MAPTMEN1
SCHEMBL1340757 0.73 PDE7A (0.55) PDE7APDE7BSMN1; SMN2SLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296682-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-19 — — US disclosed
US-20170296682-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-19 — — US disclosed
US-20170296682-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-19 — — US disclosed
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 — — US disclosed
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 — — US disclosed
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS THE JOHNS HOPKINS UNIVERSITY (US) 2016-08-18 — — 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-20170296682-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNB2, CHRNB3 PDE7A 43/4885PDE7B 98/4885SMN1; SMN2 1145/4885
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNB2, CHRNB3 PDE7A 43/4885PDE7B 98/4885SMN1; SMN2 1145/4885

“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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