SCHEMBL3858202

SCHEMBL3858202

O=C1OC(=O)c2c1c([N+](=O)[O-])cc1cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
GPR35 Q9HC97 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DAO P14920 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 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
SCHEMBL3855976 0.83 CASP6 (0.54) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL4960637 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL3139020 0.73 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL29720550 0.73 TDP1 (0.70) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL8653951 0.72 S100A4 (0.52) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL6154941 0.72 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL11841641 0.72 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL31268201 0.71 ALDH1A1 (0.63) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL4962030 0.71 ALDH1A1 (0.63) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL8668528 0.70 TSHR (0.66) ALDH1A1TSHRTDP1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO disclosed
EP-0125439-B1 3,6-DISUBSTITUTED-1,8-NAPHTHALIMIDES AND METHODS FOR THEIR PRODUCTION AND USE WARNER-LAMBERT COMPANY (US) 1990-01-24 EP disclosed
US-4665071-A ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4614820-A ANTIMICROBIAL AND ANTITUMOR AGENTS WARNER-LAMBERT CO. (US) 1986-09-30 US disclosed
US-4594346-A Antileukemia agent WARNER-LAMBERT COMPANY (US) 1986-06-10 US disclosed
US-4499266-A MICROBIOCIDES AND ANTICARCINOGENIC WARNER-LAMBERT COMPANY (US) 1985-02-12 US disclosed
EP-0125439-A2 3,6-Disubstituted-1,8-naphthalimides and methods for their production and use WARNER-LAMBERT COMPANY (US) 1984-11-21 EP disclosed
US-4231799-A MONOAZO DYES, MULTILAYER, CHARGE TRANSPORTING COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
US-4072520-A ORGANIC DYES, XEROGRAPHY HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-3996049-A XEROGRAPHY HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3989520-A XEROGRAPHY HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3977870-A ORGANIC DYESTUFF LAYER HOECHST AKTIENGESELLSCHAFT (DT) 1976-08-31 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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 ALDH1A1 2086/4885TSHR 972/4885TDP1 2055/4885

“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.