SCHEMBL21628130

SCHEMBL21628130

O=C(/C=C/c1ccc(F)cc1-c1ccoc1)NNC(=O)Cc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.41
ERBB2 P04626 5/20 0.41
SIGMAR1 Q99720 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
NAT1 P18440 1/20 0.35
PELI1 Q96FA3 1/20 0.35
PPARG P37231 1/20 0.34
P2RY14 Q15391 1/20 0.34
HPSE Q9Y251 2/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL21654599 0.72 KDM4E (0.47) PELI1
SCHEMBL21654679 0.70 PTK2 (0.38) PELI1CLK4
SCHEMBL14919320 0.64 ERN1 (0.51) PELI1CLK4
SCHEMBL21981010 0.64 EGFR (0.58) EGFRERBB2SIGMAR1
SCHEMBL31528726 0.63 BACE1 (0.48) EGFR
SCHEMBL11920201 0.61 SRC (0.65) EGFRERBB2SIGMAR1SRC
SCHEMBL31482429 0.60 NFE2L2 (0.52) EGFR
SCHEMBL31251267 0.59 LMNA (0.60) EGFRERBB2SIGMAR1
SCHEMBL26831289 0.59 HDAC8 (0.55) HDAC3HDAC1HDAC8
SCHEMBL21980987 0.59 SRC (0.54) SIGMAR1SRC

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-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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 (2 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 EGFR 1489/4885ERBB2 1611/4885SIGMAR1 553/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 EGFR 1532/4885ERBB2 1487/4885SIGMAR1 497/4885

“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.