SCHEMBL6530592

SCHEMBL6530592

Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 8/20 0.43
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
EGLN2 Q96KS0 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4818536 0.85 MBOAT4 (0.45) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL3276173 0.85 ALDH1A1 (0.39) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL5096454 0.84 ALDH1A1 (0.46) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL14489594 0.83 MAPK1 (0.45) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL14573289 0.80 ENPP1 (0.38) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL5090587 0.80 MAPK1 (0.38) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL7962066 0.80 LMNA (0.42) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL5096856 0.80 ALDH1A1 (0.38) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL5096836 0.80 ALDH1A1 (0.36) MBOAT4ALDH1A1POLBKMT2ATSHR
SCHEMBL4819849 0.80 MBOAT4 (0.44) MBOAT4ALDH1A1POLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-6855718-B2 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed
US-20040110771-A1 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20040110771-A1 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi CBR1, CBR3, DPM1 MBOAT4 3302/4885ALDH1A1 1806/4885POLB 2108/4885

“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.