SCHEMBL21654576

SCHEMBL21654576

CC(C)c1ccccc1/C=C/c1nnc(Cc2ccc(Br)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ PTK2 Q05397 1/20 0.40
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL21654700 0.90 RAB9A (0.42) RAB9ANPC1L3MBTL1PTK2HPGD
SCHEMBL21654582 0.89 HPGD (0.34) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL21654633 0.88 NPSR1 (0.43) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL21654782 0.88 KMT2A (0.43) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL21654780 0.87 PTK2 (0.43) RAB9ANPC1L3MBTL1PTK2HPGD
SCHEMBL20030575 0.85 METAP2 (0.33) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL21654635 0.85 ESR1 (0.33) RAB9ANPC1L3MBTL1PTK2HPGD
SCHEMBL21654781 0.85 RAB9A (0.41) RAB9ANPC1L3MBTL1PTK2HPGD
SCHEMBL21654517 0.84 ESR1 (0.34) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL21654793 0.84 RAB9A (0.46) RAB9ANPC1L3MBTL1PTK2HPGD

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.

Send feedback