SCHEMBL21654588

SCHEMBL21654588

Clc1cccc(Cl)c1/C=C/c1nnc(Cc2ccc(Br)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PTK2 Q05397 1/20 0.41
▸ HPGD P15428 5/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ PTGER1 P34995 6/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL21654694 0.86 RAB9A (0.46) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654533 0.84 RAB9A (0.44) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654788 0.81 L3MBTL1 (0.41) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654639 0.80 HPGD (0.47) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654790 0.80 RAB9A (0.54) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654636 0.80 L3MBTL1 (0.39) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654812 0.78 PTK2 (0.42) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654779 0.77 RAB9A (0.48) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654763 0.77 NPC1 (0.41) NPC1L3MBTL1RAB9APTK2HPGD
SCHEMBL21654637 0.76 RAB9A (0.41) NPC1L3MBTL1RAB9APTK2HPGD

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

“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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