SCHEMBL5952783

SCHEMBL5952783

CCCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SKP2 Q13309 1/20 0.42
ADRB2 P07550 1/20 0.42
ALOX5 P09917 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
SCHEMBL2647110 0.90 SKP2 (0.56) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL12798874 0.89 TDP1 (0.62) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL5869144 0.89 TSHR (0.51) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL9100894 0.87 KCNH2 (0.51) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL10780618 0.87 KCNH2 (0.51) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL6365845 0.87 KCNH2 (0.51) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL11494839 0.86 MAPT (0.56) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL1069671 0.86 TSHR (0.59) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL11295679 0.84 TDP1 (0.56) TSHRTDP1ALDH1A1MAPTMEN1
SCHEMBL992165 0.84 TDP1 (0.61) TSHRTDP1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 WO claimed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 WO disclosed
US-5262056-A Polyamides and polypyrrolones for fluid separation membranes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-11-16 US disclosed
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
US-4704452-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1987-11-03 US disclosed
US-4700003-A DISPERSION DYESTUFF INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1987-10-13 US disclosed
EP-0186627-A2 Orthonitroanilines and process for their preparation CIBA-GEIGY AG (CH) 1986-07-02 EP disclosed
EP-0185620-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1986-06-25 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 TSHR 3828/4885TDP1 2680/4885ALDH1A1 1389/4885
US-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TSHR 3098/4885TDP1 828/4885ALDH1A1 871/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TSHR 4027/4885TDP1 1498/4885ALDH1A1 862/4885

“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.