SCHEMBL7526709

SCHEMBL7526709

O=C(c1ccc(Cl)c(Cl)c1)c1cccnc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
BLM P54132 1/20 0.56
AGER Q15109 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SRD5A2 P31213 1/20 0.53
DHODH Q02127 1/20 0.50
POLB P06746 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGFBP3 P17936 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL7529815 0.83 KDM4E (0.61) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL7366851 0.82 ALOX15 (0.56) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL7367595 0.81 KDM4E (0.67) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL296670 0.79 KDM4E (0.69) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL9635664 0.79 KDM4E (0.80) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL31364358 0.78 ALDH1A1 (0.73) ALDH1A1TSHRALOX15MAPTKDM4E
Hydrochloric Acid SCHEMBL7853761 0.78 KDM4E (0.67) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL1443365 0.78 ALDH1A1 (0.73) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL2212405 0.77 KDM4E (0.61) ALDH1A1TSHRALOX15MAPTKDM4E
SCHEMBL7364079 0.77 KDM4E (0.61) ALDH1A1TSHRALOX15MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 ALDH1A1 4111/4885TSHR 300/4885ALOX15 4270/4885

“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.