SCHEMBL5209966

SCHEMBL5209966

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL5208607 0.93 CYP1A2 (0.47) SMN1; SMN2KDM4EHPGDKMT2AMAPT
SCHEMBL5209936 0.89 LMNA (0.50) SMN1; SMN2HPGDKMT2AMAPTALDH1A1
SCHEMBL14609769 0.88 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL14609867 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HPGDKMT2AMAPTALDH1A1
SCHEMBL14609887 0.87 ATM (0.42) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL5206933 0.86 ENPP2 (0.47) SMN1; SMN2HPGDKMT2AMAPTALDH1A1
SCHEMBL5216367 0.86 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMAPTALDH1A1POLB
SCHEMBL5210231 0.86 LMNA (0.40) SMN1; SMN2HPGDKMT2AMAPTALDH1A1
SCHEMBL5212575 0.85 ENPP2 (0.49) SMN1; SMN2KMT2AMAPTALDH1A1POLB
SCHEMBL5213360 0.85 CYP2D6 (0.45) SMN1; SMN2KDM4EHPGDKMT2AMAPT

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 584/4885KDM4E 2428/4885HPGD 958/4885

“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.