SCHEMBL3337469

SCHEMBL3337469

CCCCOC(=O)[C@H](Cc1c[nH]cn1)NC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
XDH P47989 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.35
HRH3 Q9Y5N1 8/20 0.34
HRH4 Q9H3N8 4/20 0.34
ALDH1A1 P00352 1/20 0.34
ALPG P10696 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
Hydrochloric Acid SCHEMBL3337935 0.99 LMNA (0.39) LMNAL3MBTL1XDHSMN1; SMN2NPC1
SCHEMBL3334899 0.95 EPHX1 (0.42) LMNAXDHSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL3339056 0.94 EPHX1 (0.41) LMNAXDHSMN1; SMN2NPC1RAB9A
SCHEMBL17633568 0.89 LMNA (0.39) LMNAL3MBTL1XDHSMN1; SMN2NPC1
SCHEMBL19123170 0.87 SMN1; SMN2 (0.35) LMNAL3MBTL1SMN1; SMN2
SCHEMBL3337001 0.87 SMN1; SMN2 (0.35) LMNAL3MBTL1SMN1; SMN2
SCHEMBL13246853 0.87 SMN1; SMN2 (0.35) LMNAL3MBTL1SMN1; SMN2
SCHEMBL9754660 0.86 LMNA (0.37) LMNAL3MBTL1XDHSMN1; SMN2NPC1
SCHEMBL9754686 0.85 ITGB3 (0.40) LMNAL3MBTL1SMN1; SMN2MAPK1HRH3
Hydrochloric Acid SCHEMBL3339489 0.85 SMN1; SMN2 (0.34) LMNAL3MBTL1SMN1; SMN2HPGDALDH1A1

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-8324261-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-2202227-A1 NOVEL HISTIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP disclosed
US-20100152459-A1 NOVEL HISTIDINE DERIVATIVES NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-06-17 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-20100152459-A1 NOVEL HISTIDINE DERIVATIVES HRH4, HNMT, HRH3 LMNA 4787/4885L3MBTL1 3065/4885XDH 1339/4885

“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.