SCHEMBL17084544

SCHEMBL17084544

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

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 8/20 0.74
▸ KMT2A Q03164 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ SPR P35270 1/20 0.43
▸ HTR4 Q13639 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ F10 P00742 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL18883345 0.91 TGM2 (0.75) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL17076471 0.90 TGM2 (0.74) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL571878 0.88 TGM2 (0.68) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL17076473 0.85 TGM2 (1.00) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL17076468 0.84 TGM2 (0.72) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL17076474 0.82 TGM2 (0.68) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL29181102 0.80 TGM2 (0.69) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL18711519 0.79 KMT2A (0.71) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL27571758 0.79 KMT2A (0.71) TGM2KMT2AATMEPHX1EPHX2
SCHEMBL25531 0.79 KMT2A (0.88) TGM2KMT2AATMEPHX1EPHX2

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
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 — — EP disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 — — US disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 — — US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 — — US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 — — 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-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 TGM2 4/4885KMT2A 1957/4885ATM 2396/4885

“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