SCHEMBL23090392

SCHEMBL23090392

COc1cc2c(cc1CC(=O)N1CCC(C(C)(C)C)CC1)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ OXTR P30559 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CCR3 P51677 1/20 0.38

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
SCHEMBL23090381 0.79 KMT2A (0.42) KMT2ANPC1MEN1ABCB1ABCC1
SCHEMBL23090401 0.73 HSD17B10 (0.51) KMT2ANPC1ALDH1A1DHODHSLC2A1
SCHEMBL23090369 0.72 SLC2A1 (0.53) KMT2AALDH1A1MEN1DHODHSLC2A1
SCHEMBL23090403 0.68 DHODH (0.67) ALDH1A1DHODHSMN1; SMN2HTTLMNA
SCHEMBL12384387 0.66 L3MBTL1 (0.66) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL12374958 0.66 CYP2D6 (0.46) KMT2AALDH1A1MAPT
SCHEMBL2238597 0.65 ALDH1A1 (0.60) KMT2AALDH1A1MEN1OXTRSMN1; SMN2
SCHEMBL17868771 0.65 KMT2A (0.58) KMT2ANPC1ALDH1A1MEN1SMN1; SMN2
SCHEMBL22782438 0.64 KEAP1 (0.53) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL14967652 0.64 KMT2A (0.51) KMT2AALDH1A1MEN1SMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — 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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L KMT2A 3836/4885NPC1 1391/4885ALDH1A1 844/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L KMT2A 3836/4885NPC1 1391/4885ALDH1A1 844/4885

“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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