SCHEMBL3759344

SCHEMBL3759344

[CH2]Oc1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.47
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDR P35968 1/20 0.38
APP P05067 1/20 0.37
CHEK2 O96017 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL1047926 0.82 PPARG (0.41) HTR2ASLC6A4KCNH2MAPTKMT2A
SCHEMBL4345160 0.81 SOS1 (0.65) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL1547827 0.78 SOS1 (0.42) SOS1HTR2ASLC6A4MAPTHTT
SCHEMBL1145315 0.78 HSP90AA1 (0.48) HTR2ASLC6A4KCNH2SMN1; SMN2HSD17B10
SCHEMBL1042563 0.77 MAPT (0.56) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL27554719 0.77 SOS1 (0.44) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL522666 0.76 SOS1 (0.46) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL12719398 0.75 MAPT (0.52) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL8461833 0.74 GPR3 (0.46) SOS1HTR2ASLC6A4KCNH2EGFR
SCHEMBL6483029 0.74 MAPT (0.44) SOS1HTR2ASLC6A4KCNH2EGFR

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 6 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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT SOS1 2646/4885HTR2A 4672/4885SLC6A4 4503/4885

“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.