SCHEMBL5216367

SCHEMBL5216367

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 7/20 0.41
TP53 P04637 5/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MC4R P32245 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5209936 0.90 LMNA (0.50) SMN1; SMN2MAPTALDH1A1KMT2ACYP1A2
SCHEMBL14609769 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL5212575 0.86 ENPP2 (0.49) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL5209966 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1KMT2ACYP1A2
SCHEMBL14609867 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL14609887 0.86 ATM (0.42) SMN1; SMN2MAPTALDH1A1KMT2AATM
SCHEMBL5206933 0.85 ENPP2 (0.47) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL5210231 0.85 LMNA (0.40) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL5209943 0.85 ENPP2 (0.47) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL5215192 0.85 PIN1 (0.43) MAPTPOLB

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 SMN1; SMN2 584/4885MAPT 3958/4885TP53 4375/4885

“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.