SCHEMBL6705979

SCHEMBL6705979

O=Cc1cn(Cc2ccccc2Cl)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.72
ALDH1A1 P00352 9/20 0.72
LMNA P02545 6/20 0.72
HTT P42858 5/20 0.72
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
PARP1 P09874 1/20 0.60
MAPT P10636 5/20 0.59
TDP1 Q9NUW8 1/20 0.54
GAA P10253 2/20 0.53
GFER P55789 1/20 0.53
CYP19A1 P11511 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 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
SCHEMBL30487282 1.00 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL27728902 0.86 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL8758346 0.85 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL18499262 0.85 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL15503856 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL7421449 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL30487286 0.82 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL28527982 0.82 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL6802019 0.82 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1LMNAHTTKMT2A
SCHEMBL28467331 0.82 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047226-B Matrine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN claimed
CN-116535386-A Cyanoethylene sulfonyl anilide compound and preparation method and medical application thereof 西南大学 2023-08-04 CN disclosed
US-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition YANG JI CHEMICAL COMPANY LTD (KR) 2004-04-08 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-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition IDO1, IDO2, TPH1 SMN1; SMN2 4643/4885ALDH1A1 3031/4885LMNA 4318/4885

“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.