SCHEMBL18702174

SCHEMBL18702174

CN(C)c1cccc2c(S(=O)(=O)N3CCN(C(=O)C(C)(C)C)CC3)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.68
▸ ATM Q13315 1/20 0.68
▸ TGM2 P21980 7/20 0.61
▸ EPHX1 P07099 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ SPR P35270 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTR6 P50406 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL18711519 0.88 KMT2A (0.71) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL27571758 0.88 KMT2A (0.71) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL29437927 0.87 KMT2A (0.88) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL25531 0.87 KMT2A (0.88) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL17076474 0.83 TGM2 (0.68) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL571878 0.83 TGM2 (0.68) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL18702155 0.82 CNR1 (0.62) KMT2ATGM2EPHX2SMN1; SMN2CNR1
SCHEMBL14256516 0.82 KMT2A (0.75) KMT2AATMTGM2EPHX1EPHX2
SCHEMBL15934204 0.82 KMT2A (0.79) KMT2AATMTGM2CA2SMN1; SMN2
SCHEMBL29181102 0.81 TGM2 (0.69) KMT2AATMTGM2EPHX1EPHX2

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR KMT2A 2884/4885ATM 3319/4885TGM2 1899/4885

“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.

Send feedback