SCHEMBL3748894

SCHEMBL3748894

[O]c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 2/20 0.57
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 6/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
LIPE Q05469 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL8635319 0.83 RAB9A (0.66) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL11196331 0.83 SMN1; SMN2 (0.67) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL5592490 0.82 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL1153348 0.82 LMNA (0.58) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8304598 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL3751730 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL16638539 0.78 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL11360493 0.77 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL11269306 0.77 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8636194 0.77 SMN1; SMN2 (0.51) CYP1A2CYP3A4CYP2C19HPGDRAB9A

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 CYP1A2 22/4885CYP3A4 55/4885CYP2C19 179/4885

“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.