SCHEMBL17347407

SCHEMBL17347407

CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ KDM1A O60341 3/20 0.59
▸ CYP19A1 P11511 1/20 0.58
▸ KDR P35968 5/20 0.58
▸ EGFR P00533 3/20 0.58
▸ FGFR1 P11362 3/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ MAOA P21397 2/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL17331341 0.89 KDM1A (0.72) LMNAKDM1AMAOAMEN1KMT2A
SCHEMBL17331331 0.88 LMNA (0.60) LMNAKDM1ACYP19A1KDREGFR
SCHEMBL6331865 0.86 LMNA (0.62) LMNAKDREGFRFGFR1MEN1
SCHEMBL21802493 0.81 CYP19A1 (0.69) LMNACYP19A1KDREGFRFGFR1
SCHEMBL17331320 0.81 SMN1; SMN2 (0.53) LMNAKDM1AMAOAMEN1KMT2A
SCHEMBL16430711 0.80 TCF4 (0.66) LMNAKDM1ACYP19A1KDREGFR
SCHEMBL17331344 0.80 LMNA (0.75) LMNACYP19A1HDAC3HDAC4HDAC1
SCHEMBL17331335 0.79 POLB (0.78) CYP19A1MEN1KMT2AALDH1A1WDR5
SCHEMBL16430359 0.79 MEN1 (0.64) LMNAKDM1ACYP19A1KDREGFR
SCHEMBL30926850 0.79 MEN1 (0.71) LMNACYP19A1KDREGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 — — US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 — — US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 — — 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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA LMNA 4379/4885KDM1A 4394/4885CYP19A1 4885/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D LMNA 3947/4885KDM1A 1704/4885CYP19A1 1706/4885

“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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