Sugi Predict

Sugi Predict / Compounds / SCHEMBL21654574

SCHEMBL21654574

SCHEMBL21654574

CC(C)c1ccccc1/C=C/c1nnc(Cc2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ P2RY1 P47900 2/20 0.33
▸ P2RY2 P41231 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32

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
SCHEMBL21654781 0.86 RAB9A (0.41) RAB9AESR1ALDH1A1HPGDMAPT
SCHEMBL21654633 0.85 NPSR1 (0.43) RAB9ANPSR1ALDH1A1HPGDMAPT
SCHEMBL21654700 0.84 RAB9A (0.42) RAB9AESR1ALDH1A1HPGDMAPT
SCHEMBL21654582 0.83 HPGD (0.34) RAB9AESR1NPSR1ALDH1A1HPGD
SCHEMBL21654782 0.82 KMT2A (0.43) RAB9AALDH1A1HPGDHTT
SCHEMBL21654576 0.82 RAB9A (0.43) RAB9AESR1NPSR1ALDH1A1HPGD
SCHEMBL21654517 0.79 ESR1 (0.34) RAB9AESR1HPGDLMNATP53
SCHEMBL21654585 0.78 RAB9A (0.34) RAB9AESR1HPGDLMNATP53
SCHEMBL21654520 0.78 SLC6A4 (0.44) SLC6A4RAB9AAPLNRNPSR1PLAT
SCHEMBL20030394 0.77 METAP2 (0.35) SLC6A4APLNRESR1HPGDMAPT

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 236/4885BCHE 2669/4885
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 346/4885BCHE 2810/4885

“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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