SCHEMBL24004518

SCHEMBL24004518

COc1ccc(Br)c(C(=O)Nc2cccc3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MEN1 O00255 6/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPT P10636 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.54
▸ GPR139 Q6DWJ6 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51

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
SCHEMBL21828989 0.91 KMT2A (0.66) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21828972 0.84 MAPT (0.61) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21828981 0.81 MAPT (0.60) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21829030 0.80 NPC1 (0.68) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21829023 0.79 KMT2A (0.78) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29124110 0.79 NPC1 (1.00) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21828987 0.76 MAPT (0.69) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17149669 0.75 KMT2A (0.64) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21829026 0.74 KMT2A (0.56) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4548097 0.74 ABCG2 (0.65) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2

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-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE 2021-11-11 — — 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-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS STING1, CGAS, MAVS KMT2A 2676/4885NPC1 1661/4885RAB9A 1646/4885

“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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