SCHEMBL23090365

SCHEMBL23090365

CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2OS(=O)(=O)C(F)(F)F)CCCCC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NR1H4 Q96RI1 4/20 0.43
▸ TRPV1 Q8NER1 4/20 0.43
▸ MAPK14 Q16539 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL23090382 0.83 DHODH (1.00) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090389 0.82 DHODH (0.76) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090405 0.81 DHODH (0.77) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23105165 0.77 DHODH (0.72) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090370 0.77 DHODH (0.72) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090367 0.76 DHODH (1.00) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090410 0.75 DHODH (0.69) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090379 0.75 DHODH (0.78) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23105163 0.73 DHODH (0.79) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8201115 0.72 KDM4E (0.47) SMN1; SMN2MAPTLMNAALDH1A1HPGD

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-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

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 DHODH 344/4885SMN1; SMN2 1489/4885MAPT 997/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885SMN1; SMN2 1489/4885MAPT 997/4885

“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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