SCHEMBL13023263

SCHEMBL13023263

Cc1ccc(N2c3ccccc3[S+]([O-])c3ccccc32)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 6/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MGLL Q99685 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL13022501 0.90 MGLL (0.39) MAPTCYP2C9CYP2C19L3MBTL1CYP1A2
SCHEMBL13021678 0.87 MGLL (0.41) MAPTL3MBTL1TDP1ALDH1A1HTT
SCHEMBL13023682 0.85 MAPT (0.33) NPSR1MAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL13022532 0.84 KMT2A (0.33) NPSR1MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL8498672 0.82 NPSR1 (0.47) NPSR1MAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL13023284 0.81 HDAC7 (0.36) NPSR1MAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL13023260 0.81 ACHE (0.41) MAPTCYP2C9CYP2C19L3MBTL1CYP1A2
SCHEMBL13023384 0.81 CYP1A2 (0.32) L3MBTL1CYP1A2KMT2AMEN1MGLL
SCHEMBL13022506 0.79 MGLL (0.42) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL13022504 0.79 MGLL (0.40) NPSR1MAPTALDH1A1HTTKMT2A

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-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 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-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME IGF1R, SCO2, CRY1 NPSR1 2345/4885MAPT 2367/4885CYP2C9 947/4885

“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.