SCHEMBL21654520

SCHEMBL21654520

CC(C)c1ccccc1CCc1nnc(Cc2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.44
▸ RAB9A P51151 3/20 0.39
▸ APLNR P35414 1/20 0.38
▸ PTK2 Q05397 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SUCNR1 Q9BXA5 1/20 0.36
▸ PTGER1 P34995 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 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
SCHEMBL21654621 0.81 RAB9A (0.46) RAB9APTK2MEN1HTTKMT2A
SCHEMBL21654574 0.78 SLC6A4 (0.37) SLC6A4RAB9AAPLNRPTK2CYP11B1
SCHEMBL21654578 0.76 RAB9A (0.39) RAB9AMEN1HTTKMT2AL3MBTL1
SCHEMBL21654580 0.74 PTK2 (0.48) RAB9APTK2HTTKMT2AL3MBTL1
SCHEMBL21654771 0.74 PTK2 (0.48) RAB9APTK2MEN1HTTKMT2A
SCHEMBL21654595 0.70 POLB (0.37) RAB9AMEN1HTTKMT2AL3MBTL1
SCHEMBL10589253 0.69 SLC6A4 (0.44) SLC6A4RAB9AMEN1HTTKMT2A
SCHEMBL21654623 0.69 ALDH1A1 (0.51) SLC6A4RAB9ACYP11B1CYP11B2HTT
SCHEMBL9839884 0.65 GABRA1 (0.48) SLC6A4L3MBTL1SLC6A2SLC6A3
SCHEMBL21654681 0.65 RAB9A (0.49) RAB9APTK2MEN1HTTKMT2A

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 SLC6A4 1367/4885RAB9A 236/4885APLNR 4823/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 SLC6A4 1425/4885RAB9A 346/4885APLNR 4809/4885

“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.

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