SCHEMBL3696100

SCHEMBL3696100

NC[C@H]1CC[C@H](C(=O)Nc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
GAA P10253 3/20 0.66
GFER P55789 1/20 0.66
HPGD P15428 1/20 0.63
GLA P06280 1/20 0.59
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
KLKB1 P03952 2/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
YAP1 P46937 1/20 0.54
TEAD4 Q15561 1/20 0.54

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
SCHEMBL3696104 1.00 MEN1 (0.66) MEN1KMT2AMAPTGAAGFER
Hydrochloric Acid SCHEMBL5466350 0.98 MEN1 (0.64) MEN1KMT2AMAPTGAAGFER
SCHEMBL501924 0.86 GAA (0.85) MEN1KMT2AMAPTGAAGFER
SCHEMBL10055001 0.86 GAA (0.85) MEN1KMT2AMAPTGAAGFER
SCHEMBL29675219 0.86 GAA (0.85) MEN1KMT2AMAPTGAAGFER
SCHEMBL14428865 0.84 KMT2A (0.62) MEN1KMT2AMAPTGAAGFER
SCHEMBL8595933 0.84 KMT2A (0.61) MEN1KMT2AMAPTGAAGFER
SCHEMBL1553221 0.84 GLA (0.62) MEN1KMT2AMAPTGAAGFER
SCHEMBL1553223 0.84 GLA (0.62) MEN1KMT2AMAPTGAAGFER
SCHEMBL8595935 0.84 KMT2A (0.61) MEN1KMT2AMAPTGAAGFER

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
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 MEN1 1064/4885KMT2A 818/4885MAPT 738/4885

“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.