SCHEMBL3397499

SCHEMBL3397499

CN(C(O)=S)C1CN(c2ccc(N3CCN(C(=O)COCC(O)CO)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
MAOA P21397 4/20 0.47
F10 P00742 6/20 0.44
GRM5 P41594 3/20 0.43
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3398334 0.93 MAOB (0.46) MAOBMAOAF10GRM5LMNA
SCHEMBL3392623 0.89 GRM5 (0.59) MAOBMAOAF10GRM5LMNA
Hydrochloric Acid SCHEMBL3396453 0.84 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL3397503 0.84 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL3394639 0.81 MAOB (0.47) MAOBMAOAF10GRM5LMNA
SCHEMBL3398265 0.81 MAOB (0.53) MAOBMAOAF10LMNAPTGS1
SCHEMBL3394919 0.81 MAOB (0.56) MAOBMAOAF10LMNAPTGS1
SCHEMBL3395068 0.81 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL3397361 0.81 MAOB (0.53) MAOBMAOAF10LMNAPTGS1
SCHEMBL3398281 0.80 MAOB (0.48) MAOBMAOAF10LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US claimed

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP MAOB 2054/4885MAOA 2174/4885F10 3863/4885

“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.