SCHEMBL17218584

SCHEMBL17218584

O=[N+]([O-])c1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ ABCC8 Q09428 2/20 0.36
▸ KCNJ11 Q14654 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ AR P10275 4/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL30834579 0.88 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL30469434 0.78 TSHR (0.54) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL31621005 0.74 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL7882883 0.74 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL1505922 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL2054426 0.74 TSHR (0.58) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL29659699 0.74 TSHR (0.58) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL10863205 0.74 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL28375616 0.74 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL4046756 0.74 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TDP1ALOX15

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
US-20180066110-A1 NOVEL POLYAMIDEIMIDE HAVING LOW THERMAL EXPANSION COEFFICIENT KOREA ADVANCED INST SCI & TECH (KR) 2018-03-08 — — US disclosed
US-20160194449-A1 NOVEL POLYAMIDEIMIDE HAVING LOW THERMAL EXPANSION COEFFICIENT KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-07-07 — — US disclosed
EP-2940015-A1 NOVEL POLYAMIDEIMIDE HAVING LOW THERMAL EXPANSION COEFFICIENT Korea Advanced Institute of Science and Technology (KR) 2015-11-04 — — EP 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 (2 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-20180066110-A1 NOVEL POLYAMIDEIMIDE HAVING LOW THERMAL EXPANSION COEFFICIENT RICTOR, SGTA, SLC43A1 ALDH1A1 1659/4885TSHR 4415/4885CYP3A4 4322/4885
US-20160194449-A1 NOVEL POLYAMIDEIMIDE HAVING LOW THERMAL EXPANSION COEFFICIENT SGTA, RICTOR, SLC43A1 ALDH1A1 1627/4885TSHR 4346/4885CYP3A4 4328/4885

“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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