SCHEMBL16746724

SCHEMBL16746724

Cc1ccc2ccccc2c1/N=N/c1c(C)cc(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ MAPT P10636 7/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL16749785 0.85 CYP2C19 (0.64) TSHRCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL8947206 0.84 CYP1A2 (0.58) TSHRCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL16746723 0.81 CYP1A2 (0.47) TSHRCYP1A2HPGDALOX12HSD17B10
SCHEMBL12147020 0.78 TSHR (0.47) TSHRCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL27016948 0.74 CYP1A2 (0.82) TSHRCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL8623371 0.74 MEN1 (0.65) TSHRCYP3A4HSD17B10MAPTMEN1
SCHEMBL29903883 0.74 MEN1 (0.65) TSHRCYP3A4HSD17B10MAPTMEN1
SCHEMBL29450699 0.74 MEN1 (0.65) TSHRCYP3A4HSD17B10MAPTMEN1
SCHEMBL21433105 0.73 CYP1A2 (0.56) TSHRCYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL9719317 0.72 ALDH1A1 (0.53) TSHRCYP3A4CYP1A2CYP2C19HPGD

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 TSHR 373/4885CYP3A4 1795/4885CYP1A2 1506/4885

“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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