SCHEMBL16746723

SCHEMBL16746723

Cc1ccc2ccccc2c1/N=N/c1c(C)cc(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.47
▸ CYP2A6 P11509 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ THRB P10828 3/20 0.47
▸ GLO1 Q04760 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MPL P40238 1/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ TDP1 Q9NUW8 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HSP90AA1 P07900 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ GAA P10253 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
SCHEMBL16746725 0.85 THRB (0.50) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL16746724 0.81 TSHR (0.47) CYP1A2TSHRTHRBALDH1A1HSD17B10
SCHEMBL16749787 0.79 MPL (0.65) CYP1A2TSHRGLO1HSD17B10MPL
SCHEMBL12133347 0.79 THRB (0.62) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL15181274 0.79 THRB (0.50) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL7482723 0.77 CYP1A2 (0.58) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL4119215 0.75 CYP1A2 (0.56) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL14118304 0.73 TSHR (0.54) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL15957824 0.71 THRB (0.74) CYP1A2CYP2A6TSHRTHRBGLO1
SCHEMBL12954917 0.70 THRB (0.63) CYP1A2TSHRTHRBGLO1ALDH1A1

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-9346958-B2 Reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-05-24 — — US disclosed
US-20150143639-A1 Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-05-28 — — 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-20150143639-A1 Reactive Dyes, Their Preparation and Their Use H1-2, H1-3, H1-4 CYP1A2 1506/4885CYP2A6 2068/4885TSHR 373/4885

“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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