SCHEMBL5914014

SCHEMBL5914014

Cc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
ALDH1A1 P00352 6/20 0.60
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
HCAR3 P49019 1/20 0.50
ERN1 O75460 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL382787 0.87 TSHR (0.68) TSHRALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL11689094 0.84 TSHR (0.60) TSHRALDH1A1CES2CES1LMNA
Hydrochloric Acid SCHEMBL11689101 0.84 TSHR (0.65) TSHRALDH1A1CES2CES1LMNA
SCHEMBL283683 0.83 TSHR (0.62) TSHRALDH1A1CES2CES1LMNA
SCHEMBL28534503 0.83 TSHR (0.62) TSHRALDH1A1CES2CES1LMNA
SCHEMBL17303445 0.82 TSHR (0.77) TSHRALDH1A1CES2CES1LMNA
SCHEMBL31272847 0.82 VCAM1 (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL5913044 0.82 VCAM1 (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL22115119 0.82 LMNA (0.66) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL3585691 0.82 LMNA (0.56) TSHRALDH1A1LMNAKMT2ASMN1; SMN2

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-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 (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 TSHR 22/4885ALDH1A1 2632/4885CES2 3900/4885

“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.