SCHEMBL21468519

SCHEMBL21468519

COc1c(NC(=O)O)ccc(Br)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL21468506 0.81 KCNQ4 (0.40) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL31523339 0.76 ALOX5AP (0.39) MEP1B
SCHEMBL23303979 0.75 MEN1 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL21468543 0.75 METAP2 (0.37) KMT2AMEN1SMN1; SMN2GFERCYP2C9
Hydrochloric Acid SCHEMBL31523285 0.75 ALOX5AP (0.38) MEP1B
SCHEMBL22684085 0.75 KIF11 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL30316357 0.75 HSD17B10 (0.50) CYP2C9ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL11939269 0.74 RXFP1 (0.49) KMT2AMEN1SMN1; SMN2CYP2C9ALDH1A1
SCHEMBL29825832 0.73 SOS1 (0.43) SMN1; SMN2ALDH1A1MAPTKDM4EPOLB
SCHEMBL23286523 0.73 SOS1 (0.43) SMN1; SMN2ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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 (1 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 KMT2A 3171/4885MEN1 2018/4885SMN1; SMN2 804/4885

“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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