SCHEMBL21654700

SCHEMBL21654700

CC(C)c1ccccc1/C=C/c1nnc(Cc2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GPR55 Q9Y2T6 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MME P08473 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ TP53 P04637 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
SCHEMBL21654782 0.93 KMT2A (0.43) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654582 0.91 HPGD (0.34) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654576 0.90 RAB9A (0.43) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654633 0.90 NPSR1 (0.43) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654781 0.90 RAB9A (0.41) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654517 0.89 ESR1 (0.34) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654583 0.88 TLR9 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL21654780 0.87 PTK2 (0.43) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL21654627 0.87 PTK2 (0.43) RAB9ASMN1; SMN2NPC1EGFRPTK2
SCHEMBL21654585 0.86 RAB9A (0.34) RAB9ASMN1; SMN2NPC1HPGDTSHR

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 236/4885SMN1; SMN2 2069/4885NPC1 295/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 346/4885SMN1; SMN2 1914/4885NPC1 221/4885

“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