SCHEMBL17343064

SCHEMBL17343064

CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ BRD4 O60885 1/20 0.51
▸ NLRP3 Q96P20 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RORC P51449 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FABP4 P15090 2/20 0.45
▸ FABP5 Q01469 1/20 0.45
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL17343063 0.89 ALDH1A1 (0.51) KMT2ABRD4NLRP3GAAALDH1A1
SCHEMBL17343060 0.88 POLB (0.54) EPHX2KMT2APOLBGAAALDH1A1
SCHEMBL17343061 0.84 KMT2A (0.57) EPHX2KMT2APOLBGAAALDH1A1
SCHEMBL17331321 0.78 ALDH1A1 (0.56) KMT2APOLBGAAALDH1A1TDP1
SCHEMBL13504015 0.75 TSHR (0.69) KMT2APOLBALDH1A1MAPTHTT
SCHEMBL17343062 0.74 ALDH1A1 (0.60) KMT2APOLBGAAALDH1A1MAPT
SCHEMBL17347543 0.73 FABP4 (0.49) KMT2APOLBALDH1A1TSHRMAPK1
SCHEMBL5216545 0.72 HTR1F (0.58) KMT2ABRD4NLRP3ALDH1A1TSHR
SCHEMBL18311852 0.71 MEN1 (0.59) EPHX2KMT2APOLBALDH1A1MAPT
SCHEMBL1051520 0.71 ALDH1A1 (0.54) KMT2APOLBALDH1A1MAPTTDP1

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 4 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-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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 — — 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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA EPHX2 3964/4885KMT2A 2480/4885BRD4 740/4885

“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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