SCHEMBL17985436

SCHEMBL17985436

O=[N+]([O-])c1cccc2c1sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ PARP1 P09874 1/20 0.46
▸ GPR3 P46089 1/20 0.45
▸ SLC9A1 P19634 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PARP14 Q460N5 1/20 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
SCHEMBL4554345 0.87 PARP14 (0.49) TDP1ALDH1A1PARP1GPR3SLC9A1
SCHEMBL16919472 0.81 CYP19A1 (0.43) TDP1ALDH1A1PARP1GPR3CYP19A1
SCHEMBL15139099 0.81 ALDH1A1 (0.44) TDP1ALDH1A1PARP1GPR3SLC9A1
SCHEMBL16919494 0.80 PARP14 (0.43) TDP1ALDH1A1PARP1GPR3CYP19A1
SCHEMBL23457352 0.80 PARP14 (0.46) TDP1ALDH1A1PARP1SLC9A1MAPT
SCHEMBL19961730 0.79 ALDH1A1 (0.42) TDP1ALDH1A1PARP1SLC9A1CYP19A1
SCHEMBL15318845 0.79 POLB (0.47) TDP1ALDH1A1CYP19A1NPC1MAPT
SCHEMBL3293386 0.79 TDP1 (0.53) TDP1ALDH1A1PARP1GPR3SLC9A1
SCHEMBL31478092 0.79 TDP1 (0.53) TDP1ALDH1A1PARP1GPR3SLC9A1
SCHEMBL16218716 0.77 ALDH1A1 (0.46) TDP1ALDH1A1CYP19A1MAPTHPGD

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 TDP1 860/4885ALDH1A1 1229/4885PARP1 4543/4885
US-20160235869-A1 DERIVATIVES OF DIBENZOTHIOPHENE IMAGING OF alpha-7 NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNB2, CHRNB3 TDP1 860/4885ALDH1A1 1229/4885PARP1 4543/4885

“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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