SCHEMBL5838874

SCHEMBL5838874

Cc1c(-c2cccs2)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
S100A4 P26447 2/20 0.42
KLK3 P07288 1/20 0.42
ERN1 O75460 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EIF4E P06730 1/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPRC P08575 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
SCHEMBL331601 0.83 ALDH1A1 (0.53) TDP1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28397795 0.82 GPR35 (0.47) TDP1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL11667719 0.82 S100A4 (0.51) TDP1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9550119 0.80 TDP1 (0.78) TDP1SMN1; SMN2TSHRKMT2AMAPT
SCHEMBL27557334 0.80 TDP1 (0.40) TDP1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6366770 0.77 TSHR (0.51) TDP1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL5839785 0.77 ERN1 (0.42) TDP1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29064508 0.76 TSHR (0.51) SMN1; SMN2TSHRMEN1KMT2AMAPT
SCHEMBL472112 0.74 TDP1 (1.00) TDP1SMN1; SMN2TSHRKMT2AMAPT
SCHEMBL27843149 0.74 TDP1 (0.51) TDP1SMN1; SMN2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 TDP1 2963/4885SMN1; SMN2 4771/4885TSHR 1288/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R TDP1 3471/4885SMN1; SMN2 4675/4885TSHR 163/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 TDP1 3302/4885SMN1; SMN2 4715/4885TSHR 130/4885

“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.