SCHEMBL176880

SCHEMBL176880

Cc1c(O[PH](=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
GLA P06280 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
SCHEMBL176878 1.00 TDP1 (0.56) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL1259532 0.83 RAB9A (0.59) TDP1SMN1; SMN2ALDH1A1NPC1RECQL
SCHEMBL1259536 0.83 RAB9A (0.59) TDP1SMN1; SMN2ALDH1A1NPC1RECQL
SCHEMBL29229957 0.79 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL29391066 0.78 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL943484 0.78 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL19006811 0.76 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL3842471 0.75 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL28077500 0.75 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL23421580 0.74 TDP1 (0.56) TDP1TSHRSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 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-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 TDP1 3524/4885TSHR 481/4885SMN1; SMN2 3322/4885

“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.