SCHEMBL3317243

SCHEMBL3317243

OC(=S)N1CCC(CBr)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
PHGDH O43175 1/20 0.34
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL27779398 0.83 MGLL (0.35) MGLLPHGDHKMT2ALMNAMAPT
SCHEMBL3316476 0.79 MGLL (0.38) MGLLPHGDHKMT2AMAPTSMN1; SMN2
SCHEMBL1044396 0.77 TACR3 (0.34) KMT2ALMNATDP1
SCHEMBL3318020 0.75 MGLL (0.34) MGLLPHGDH
SCHEMBL12747180 0.71 EPHX2 (0.43) SMN1; SMN2TDP1
SCHEMBL3317239 0.71 ALDH1A1 (0.32) KMT2ALMNATDP1
SCHEMBL12474755 0.70 LMNA (0.42) MGLLPHGDHLMNAMAPTTDP1
SCHEMBL25335914 0.70 TACR3 (0.39) KMT2ALMNATDP1
SCHEMBL2352547 0.70 TACR3 (0.39) KMT2ALMNATDP1
SCHEMBL3317695 0.68 EPHX2 (0.49)

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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 WO 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 MGLL 2171/4885PHGDH 2219/4885KMT2A 2399/4885

“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.