SCHEMBL18162299

SCHEMBL18162299

O=[N+]([O-])c1ccc2ccccc2c1Sc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HNF4A P41235 1/20 0.40
▸ PDE7A Q13946 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5857167 0.77 PDE7A (0.66) HPRT1TDP1TSHRMEN1KMT2A
SCHEMBL5859889 0.77 PDE7A (0.50) HPRT1ALDH1A1TDP1TSHRMEN1
SCHEMBL19180218 0.76 PDE7A (0.54) HPRT1ALDH1A1MEN1KMT2ANPC1
SCHEMBL8514538 0.75 MAP2K2 (0.43) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL11624374 0.74 ALDH1A1 (0.50) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL8390638 0.74 MAOA (0.46) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2033024 0.73 PDE7A (0.49) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL8560807 0.72 MAPT (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL28674305 0.71 USP2 (0.50) ALDH1A1TDP1MEN1KMT2ACTSB
SCHEMBL18162301 0.70 PIN1 (0.51) HPRT1ALDH1A1TDP1TSHRCASP6

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-20160308144-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-20 — — US disclosed
US-20160308144-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-20 — — 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-20160308144-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME CRY1, CCNL2, CCNE2 HPRT1 900/4885ALDH1A1 126/4885TDP1 987/4885

“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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