SCHEMBL16749785

SCHEMBL16749785

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.64
▸ CYP1A2 P05177 4/20 0.64
▸ TSHR P16473 4/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ CSNK2A1 P68400 1/20 0.64
▸ PRMT1 Q99873 1/20 0.64
▸ MPL P40238 10/20 0.49
▸ CTRC Q99895 2/20 0.49
▸ NT5E P21589 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ ATIC P31939 1/20 0.44
▸ PTPRA P18433 1/20 0.42
▸ PTPRB P23467 1/20 0.42

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
SCHEMBL27016948 0.89 CYP1A2 (0.82) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL16746724 0.85 TSHR (0.47) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL16749787 0.85 MPL (0.65) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL6003958 0.84 CYP1A2 (0.81) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL4648939 0.84 CYP1A2 (0.81) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL1139885 0.84 CYP1A2 (0.81) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL30727468 0.84 CYP1A2 (0.81) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL29407321 0.84 CYP1A2 (0.81) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL184951 0.83 CYP1A2 (0.80) CYP2C19CYP1A2TSHRCYP2C9HSD17B10
SCHEMBL184949 0.83 CYP1A2 (0.80) CYP2C19CYP1A2TSHRCYP2C9HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855597-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-06-07 — — EP disclosed
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 CYP2C19 2561/4885CYP1A2 1506/4885TSHR 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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