SCHEMBL3395525

SCHEMBL3395525

COC(=S)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cc(C)on4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAOB P27338 7/20 0.45
MAOA P21397 5/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 3/20 0.40
GAA P10253 1/20 0.38
TOP2B Q02880 1/20 0.38
GPR6 P46095 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
SCHEMBL3394857 0.91 MAOB (0.47) KMT2AMAOBMAOAMAPTLMNA
SCHEMBL3417629 0.89 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395834 0.88 MAOB (0.46) KMT2AMAOBMAOAMAPTLMNA
SCHEMBL3397399 0.87 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394803 0.86 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397702 0.86 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394844 0.85 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392403 0.84 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392682 0.84 MAOB (0.45) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3397394 0.84 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3

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 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP KMT2A 4400/4885MAOB 2054/4885MAOA 2174/4885

“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.