SCHEMBL4535995

SCHEMBL4535995

CN(C)Cc1ccc(N(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 4/20 0.54
HCAR3 P49019 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.46
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH3A1 P30838 1/20 0.41
GALR3 O60755 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5913394 0.81 ALDH1A1 (0.51) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL31347490 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHCAR3HTTPOLB
SCHEMBL5913191 0.80 ALDH1A1 (0.51) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL5913449 0.80 PDK1 (0.47) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL4522567 0.80 POLB (0.64) ALDH1A1KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL5913237 0.80 VCAM1 (0.54) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL15156898 0.80 TSHR (0.54) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL31347536 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHCAR3HTTPOLB
SCHEMBL14938607 0.78 MAPT (0.57) ALDH1A1POLBMAPTSMN1; SMN2NPC1
SCHEMBL4512978 0.78 SMN1; SMN2 (0.67) ALDH1A1HTTSMN1; SMN2LMNAKMT2A

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
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO 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 (2 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R ALDH1A1 2632/4885KDM4E 2069/4885HCAR3 94/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885KDM4E 2349/4885HCAR3 400/4885

“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.