SCHEMBL5214554

SCHEMBL5214554

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.49
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
IDE P14735 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL14609867 0.86 SMN1; SMN2 (0.40) SMN1; SMN2TSHRLMNACYP1A2CYP3A4
SCHEMBL5213997 0.85 MAPK1 (0.53) KDM4ESMN1; SMN2LMNACYP3A4CYP2D6
SCHEMBL5209936 0.85 LMNA (0.50) PKMSMN1; SMN2TSHRLMNACYP1A2
SCHEMBL5209966 0.84 SMN1; SMN2 (0.46) NAMPTKDM4EPKMSMN1; SMN2LMNA
SCHEMBL14609769 0.84 SMN1; SMN2 (0.41) SMN1; SMN2TSHRLMNA
SCHEMBL5211614 0.83 TSHR (0.40) SMN1; SMN2TSHRLMNAPOLB
SCHEMBL5213360 0.83 CYP2D6 (0.45) KDM4ESMN1; SMN2TSHRLMNACYP1A2
SCHEMBL5207799 0.83 ENPP2 (0.45) SMN1; SMN2TSHRLMNANPSR1
SCHEMBL14609887 0.83 ATM (0.42) SMN1; SMN2TSHRLMNA
SCHEMBL5206933 0.82 ENPP2 (0.47) TDP1SMN1; SMN2LMNAPOLB

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 NAMPT 1063/4885KDM4E 2428/4885TDP1 4271/4885

“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.