SCHEMBL21654533

SCHEMBL21654533

Cc1cccc(C)c1/C=C/c1nnc(Cc2ccc(Br)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HPGD P15428 4/20 0.41
▸ PTK2 Q05397 2/20 0.41
▸ TSHR P16473 5/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL20030396 0.89 ALOX12 (0.44) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL21654637 0.86 RAB9A (0.41) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654793 0.86 RAB9A (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654588 0.84 NPC1 (0.44) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654790 0.80 RAB9A (0.54) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654779 0.77 RAB9A (0.48) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654651 0.76 HPGD (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654788 0.76 L3MBTL1 (0.41) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654694 0.75 RAB9A (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL21654654 0.75 RAB9A (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD

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 RAB9A 236/4885NPC1 295/4885L3MBTL1 1713/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 346/4885NPC1 221/4885L3MBTL1 1564/4885

“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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