SCHEMBL21654587

SCHEMBL21654587

COc1ccccc1/C=C/c1nnc(Cc2ccc(Br)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 3/20 0.41
▸ PARP1 P09874 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NFE2L2 Q16236 2/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ AR P10275 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38

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
SCHEMBL21654802 0.87 PTK2 (0.43) RAB9ANPC1MAPTGAAPARP1
SCHEMBL21628155 0.86 RAB9A (0.44) RAB9ANPC1L3MBTL1MAPTGAA
SCHEMBL21628156 0.86 RAB9A (0.44) RAB9ANPC1L3MBTL1MAPTGAA
SCHEMBL21654793 0.84 RAB9A (0.46) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21654779 0.84 RAB9A (0.48) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21654586 0.83 L3MBTL1 (0.39) RAB9ANPC1L3MBTL1MAPTGAA
SCHEMBL21654654 0.81 RAB9A (0.46) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21654694 0.81 RAB9A (0.46) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21654576 0.81 RAB9A (0.43) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21654790 0.78 RAB9A (0.54) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2

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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