SCHEMBL21654585

SCHEMBL21654585

Cc1ccc(Cc2nnc(/C=C/c3ccccc3C(C)C)o2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ KCNN2 Q9H2S1 2/20 0.31
▸ KCNN3 Q9UGI6 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21654635 0.90 ESR1 (0.33) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL20030575 0.90 METAP2 (0.33) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL20030388 0.88 NPC1 (0.31) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL21654517 0.87 ESR1 (0.34) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL21654700 0.86 RAB9A (0.42) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL21654582 0.85 HPGD (0.34) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL21654633 0.84 NPSR1 (0.43) RAB9AHPGDSMN1; SMN2NPC1GPR55
SCHEMBL21654576 0.84 RAB9A (0.43) RAB9AHPGDSMN1; SMN2NPC1ESR1
SCHEMBL21654782 0.84 KMT2A (0.43) RAB9AHPGDSMN1; SMN2NPC1CNR2
SCHEMBL21654627 0.83 PTK2 (0.43) RAB9ASMN1; SMN2NPC1ESR1KCNN2

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 236/4885HPGD 4213/4885SMN1; SMN2 2069/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 346/4885HPGD 3730/4885SMN1; SMN2 1914/4885

“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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