SCHEMBL5211795

SCHEMBL5211795

CCC(CC)(c1ccc(NC(=O)CCc2oc(C3CCCCC3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.38
MCHR1 Q99705 2/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.35
ALOX12 P18054 1/20 0.34
ALOX15B O15296 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PARP3 Q9Y6F1 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5207015 0.86 MAPT (0.41) MCHR1CHRM1HTR2AMAPTMEN1
SCHEMBL5211936 0.85 MAPT (0.42) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5207462 0.83 MAPT (0.41) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5208383 0.82 SMO (0.43) MAPTMEN1KMT2AALDH1A1PARP3
SCHEMBL5211798 0.82 CHRM1 (0.40) ADCY1MCHR1CHRM1HTR2AMAPT
SCHEMBL5207600 0.81 TP53 (0.44) ADCY1MAPTMEN1KMT2ALMNA
SCHEMBL5213773 0.81 PIK3CA (0.41) MCHR1MAPTMEN1KMT2AMAPK1
SCHEMBL5215005 0.81 PARP3 (0.39) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5208991 0.81 MAPT (0.39) MCHR1CHRM1HTR2AMAPTMEN1
SCHEMBL5207440 0.80 CETP (0.47) MAPTMEN1KMT2AMAPK1ALDH1A1

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ADCY1 1793/4885MCHR1 1777/4885CHRM1 1679/4885

“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.