SCHEMBL3762037

SCHEMBL3762037

[CH2]n1nc(-c2ccccc2C)cc1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
FABP3 P05413 1/20 0.40
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
CYP1A2 P05177 8/20 0.39
CYP2D6 P10635 6/20 0.39
CYP2C19 P33261 6/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL3762041 0.80 ESRRA (0.48) PTGS2FABP3IDO1METAP2CYP1A2
SCHEMBL14557159 0.72 PTGS2 (0.44) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL23685715 0.70 PTGS2 (0.50) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL29406288 0.69 MAPT (0.43) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL13974491 0.69 MAPT (0.43) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL23403457 0.68 CYP1A2 (0.44) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL14464275 0.67 RAB9A (0.41) PTGS2MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL16574032 0.66 KMT2A (0.55) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL29767299 0.66 KMT2A (0.55) PTGS2IDO1METAP2CYP1A2CYP2D6
SCHEMBL23403283 0.66 FABP3 (0.49) PTGS2FABP3CYP1A2CYP2D6CYP2C19

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT PTGS2 3255/4885FABP3 4840/4885IDO1 753/4885

“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.