SCHEMBL5913633

SCHEMBL5913633

CN(C)Cc1ccc(-c2ccco2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ERN1 O75460 1/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL22898021 0.79 TSHR (0.53) MAPTRXFP1ERN1POLBALDH1A1
Hydrochloric Acid SCHEMBL5913103 0.75 ADORA2A (0.41) ALDH1A1
SCHEMBL5913635 0.75 ERN1 (0.40) MAPTERN1POLBALDH1A1KDM4E
SCHEMBL9034058 0.74 MAPT (0.59) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL14999173 0.73 ERN1 (0.45) MAPTRXFP1ERN1POLBALDH1A1
SCHEMBL19181079 0.73 CHEK1 (0.42) MAPTRXFP1ERN1POLBALDH1A1
SCHEMBL5913927 0.72 ERN1 (0.51) MAPTERN1POLBALDH1A1SMN1; SMN2
SCHEMBL5913394 0.72 ALDH1A1 (0.51) MAPTPOLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL5913395 0.72 ERN1 (0.40) MAPTERN1POLBALDH1A1SMN1; SMN2
SCHEMBL5557695 0.72 ALDH1A1 (0.53) MAPTERN1POLBALDH1A1KDM4E

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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN 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 (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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R MAPT 3981/4885RXFP1 30/4885ERN1 3002/4885

“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.