SCHEMBL4829348

SCHEMBL4829348

COCCOc1nc(C)cc(SC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 11/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 6/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL8808441 0.83 ALDH1A1 (0.38) S1PR4SMN1; SMN2MAPTLMNATSHR
SCHEMBL4833523 0.78 TSHR (0.34) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4829296 0.75 S1PR4 (0.39) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15716302 0.73 NPC1 (0.46) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5267218 0.72 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4829285 0.71 MAPT (0.38) S1PR4SMN1; SMN2MAPTLMNAHPGD
SCHEMBL19171827 0.70 TSHR (0.38) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19173076 0.68 SMN1; SMN2 (0.49) S1PR4SMN1; SMN2MAPTLMNAHPGD
SCHEMBL14910676 0.65 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL15716355 0.65 S1PR4 (0.40) S1PR4NPC1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 S1PR4 1248/4885NPC1 1124/4885RAB9A 3495/4885

“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.