SCHEMBL4817458

SCHEMBL4817458

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1SCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.36
ALDH1A1 P00352 4/20 0.35
ENPP1 P22413 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
PDE2A O00408 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7958613 0.87 ALDH1A1 (0.39) MBOAT4ALDH1A1ENPP1POLBTSHR
SCHEMBL7956834 0.85 ALDH1A1 (0.38) ALDH1A1ENPP1POLBTSHRKMT2A
SCHEMBL7955197 0.84 ALDH1A1 (0.37) MBOAT4ALDH1A1ENPP1POLBTSHR
SCHEMBL4818800 0.84 ALDH1A1 (0.35) MBOAT4ALDH1A1ENPP1POLBTSHR
SCHEMBL7955290 0.84 NPC1 (0.38) MBOAT4ALDH1A1ENPP1POLBTSHR
SCHEMBL7954925 0.83 MBOAT4 (0.35) MBOAT4ALDH1A1POLBTSHRKMT2A
SCHEMBL7957250 0.83 ATM (0.43) ALDH1A1ENPP1POLBTSHRKMT2A
SCHEMBL7956372 0.83 LMNA (0.40) ALDH1A1ENPP1POLBTSHRKMT2A
SCHEMBL7958677 0.82 ALDH1A1 (0.37) MBOAT4ALDH1A1ENPP1POLBTSHR
SCHEMBL7956946 0.80 ALDH1A1 (0.37) ALDH1A1ENPP1POLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO disclosed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 MBOAT4 4469/4885ALDH1A1 2231/4885ENPP1 1402/4885

“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.