SCHEMBL4955372

SCHEMBL4955372

CN(C)C(=S)[C@H]1CCCC(N(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 5/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP30 Q70CQ3 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTK2 Q05397 1/20 0.39
MAPT P10636 2/20 0.38
KCNH2 Q12809 1/20 0.38
IDO1 P14902 1/20 0.38
F10 P00742 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.37
F5 P12259 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1503995 0.91 L3MBTL1 (0.44) L3MBTL1RAB9ANPC1USP30PTK2
SCHEMBL4356471 0.89 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL4952692 0.87 L3MBTL1 (0.44) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL1504138 0.87 L3MBTL1 (0.42) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL715127 0.79 L3MBTL1 (0.43) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL368516 0.79 L3MBTL1 (0.43) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL4955407 0.79 GLS (0.33)
SCHEMBL13394441 0.78 F10 (0.48) L3MBTL1RAB9ANPC1ALDH1A1USP30
SCHEMBL4268700 0.78 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1ALDH1A1USP30
Hydrochloric Acid SCHEMBL4263387 0.77 F10 (0.47) L3MBTL1RAB9ANPC1ALDH1A1USP30

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-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20050020645-A1 Diamine derivatives C9, C1S, C1R L3MBTL1 385/4885RAB9A 3294/4885NPC1 3358/4885

“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.