SCHEMBL18396142

SCHEMBL18396142

O=C(Nc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCN2CCCC2)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.46
▸ KCNH2 Q12809 4/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ HTR4 Q13639 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CHRNA7 P36544 3/20 0.41
▸ HTR1F P30939 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL17143141 0.95 HTR3A (0.48) HTR3AKCNH2ADRA2AADRA2BHTR4
SCHEMBL17142947 0.93 KMT2A (0.46) HTR3AKCNH2ADRA2AADRA2BHTR4
SCHEMBL17142411 0.93 NAMPT (0.47) HTR3AKCNH2ADRA2AADRA2BHTR4
SCHEMBL17148153 0.93 EPHX2 (0.49) EPHX2NAMPTKMT2ALMNAPOLB
SCHEMBL18394576 0.90 HTR1F (0.48) NAMPTKMT2ALMNAHTR1FPOLB
SCHEMBL17142435 0.90 EPHX2 (0.48) EPHX2KMT2ALMNAHTR1FPOLB
SCHEMBL17142872 0.89 EPHX2 (0.47) EPHX2NAMPTKMT2ALMNAPOLB
SCHEMBL17148308 0.88 KMT2A (0.48) EPHX2KMT2ALMNAHTR1FPOLB
SCHEMBL18394359 0.88 HTR1F (0.44) KMT2ALMNAHTR1FPOLBKDM4E
SCHEMBL19840635 0.86 EPHX2 (0.45) KCNH2ADRA2AADRA2BHTR4EPHX2

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-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 — — US disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 — — US disclosed
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 — — 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-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS TNK1, TNNI3K, TNKS HTR3A 4365/4885KCNH2 1141/4885ADRA2A 3261/4885

“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.

Send feedback