SCHEMBL8095927

SCHEMBL8095927

CCCCCCc1cc([N+](=O)[O-])ccc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MGLL Q99685 1/20 0.42
CYP19A1 P11511 4/20 0.42
KMT2A Q03164 1/20 0.41
ESPL1 Q14674 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
SCHEMBL8099846 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KCNH2LMNAMAPT
SCHEMBL8096050 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KCNH2LMNAMAPT
SCHEMBL8092479 0.99 ALDH1A1 (0.49) ALDH1A1TDP1KCNH2LMNAMAPT
SCHEMBL8086182 0.94 ALDH1A1 (0.50) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL8102317 0.89 KMT2A (0.45) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL8094160 0.86 ALDH1A1 (0.48) ALDH1A1TDP1KCNH2MGLLCYP19A1
SCHEMBL7207882 0.86 KMT2A (0.51) ALDH1A1TDP1KCNH2MGLLCYP19A1
SCHEMBL8094302 0.86 ALDH1A1 (0.48) ALDH1A1TDP1KCNH2MGLLCYP19A1
SCHEMBL8102118 0.86 ALDH1A1 (0.48) ALDH1A1TDP1KCNH2MGLLCYP19A1
SCHEMBL11615752 0.86 KMT2A (0.51) ALDH1A1TDP1KCNH2MGLLCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049705-A1 MONOLITHIC TABLETS BASED ON CARBOXYL POLYMERIC COMPLEXES FOR CONTROLLED DRUG RELEASE MATRIPHARM INC. (CA) 2017-02-23 US disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed
US-4004029-A BENZAMIDES THE UPJOHN COMPANY (US) 1977-01-18 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-20170049705-A1 MONOLITHIC TABLETS BASED ON CARBOXYL POLYMERIC COMPLEXES FOR CONTROLLED DRUG RELEASE CLTC, TMCO1, CALCOCO2 ALDH1A1 3115/4885TDP1 4228/4885KCNH2 3462/4885

“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.