Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758845

SCHEMBL3758845

SCHEMBL3758845

O=[N+]([O-])c1ccc(-c2ccccc2)c(Br)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HPRT1 P00492 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ GALK1 P51570 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MYC P01106 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 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
SCHEMBL7051300 0.84 ALDH1A1 (0.60) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL28099167 0.81 ALDH1A1 (0.56) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL30139580 0.79 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL16937118 0.79 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL29069346 0.79 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL5707263 0.79 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL26107330 0.79 ALDH1A1 (0.69) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL28579841 0.77 ALDH1A1 (0.47) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL29236231 0.77 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL1392515 0.77 TDP1 (0.71) ALDH1A1TDP1HPRT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 — — EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 — — US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 — — EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 — — WO 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885TDP1 494/4885HPRT1 2084/4885

“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.