SCHEMBL21654686

SCHEMBL21654686

Clc1ccc(-c2ccccc2/C=C/c2nnc(Cc3ccc(Br)cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPC1 O15118 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ METAP2 P50579 2/20 0.34

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
SCHEMBL21654524 0.91 RAB9A (0.50) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654694 0.83 RAB9A (0.46) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654779 0.81 RAB9A (0.48) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654639 0.81 HPGD (0.47) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654654 0.79 RAB9A (0.46) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654793 0.79 RAB9A (0.46) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654651 0.77 HPGD (0.49) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654587 0.76 RAB9A (0.43) MAPK1NPC1L3MBTL1RAB9AKDM4E
SCHEMBL21654790 0.76 RAB9A (0.54) HPGDTSHRMAPK1NPC1L3MBTL1
SCHEMBL21654588 0.75 NPC1 (0.44) HPGDTSHRMAPK1NPC1L3MBTL1

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 HPGD 4213/4885TSHR 3439/4885MAPK1 2695/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 HPGD 3730/4885TSHR 3622/4885MAPK1 2929/4885

“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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