SCHEMBL15944116

SCHEMBL15944116

CC/C=[N+](\[O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
BCHE P06276 1/20 0.35
MAOB P27338 1/20 0.34
CALM1 P0DP23 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29094830 1.00 TP53 (0.41) TP53BCHEMAOBCALM1ALDH1A1
SCHEMBL30129128 0.85 EPHX2 (0.36) TP53BCHEMAOBALDH1A1CYP1A2
SCHEMBL11818883 0.84 TP53 (0.38) TP53BCHEMAOBCALM1ALDH1A1
SCHEMBL29185757 0.82 EPHX2 (0.38) TP53BCHEMAOBALDH1A1
SCHEMBL30151585 0.82 EPHX2 (0.38) TP53BCHEMAOBALDH1A1
SCHEMBL30128945 0.82 EPHX2 (0.38) TP53BCHEMAOBALDH1A1
SCHEMBL29094817 0.81 SMN1; SMN2 (0.36) TP53BCHEMEN1KMT2A
SCHEMBL27507506 0.81 MAOB (0.46) TP53BCHEMAOBCALM1ALDH1A1
SCHEMBL29094791 0.79 TAAR1 (0.35) TP53BCHECYP2D6MEN1KMT2A
SCHEMBL13624829 0.78 LOXL2 (0.39) TP53BCHEMAOBCALM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321722-B2 Bis-indolic derivatives, their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2016-04-26 US disclosed
US-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2014-08-14 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-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS IDO1, IDO2, AANAT TP53 3639/4885BCHE 608/4885MAOB 42/4885

“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.