SCHEMBL3751730

SCHEMBL3751730

[CH2]Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 5/20 0.54
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
FFAR1 O14842 1/20 0.43

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 0.80 RAB9A (0.66) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL3748894 0.80 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL8304598 0.77 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL3213488 0.77 RAB9A (0.58) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL14649861 0.76 SMN1; SMN2 (0.70) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL5592490 0.76 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL1153348 0.76 LMNA (0.58) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL16638539 0.75 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL6503509 0.75 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL11360493 0.74 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2

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.