SCHEMBL5209936

SCHEMBL5209936

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ENPP2 Q13822 2/20 0.45
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5212575 0.93 ENPP2 (0.49) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL14609769 0.90 SMN1; SMN2 (0.41) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5206933 0.90 ENPP2 (0.47) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5216367 0.90 SMN1; SMN2 (0.42) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5212903 0.90 ENPP2 (0.46) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5209943 0.90 ENPP2 (0.47) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL14609867 0.89 SMN1; SMN2 (0.40) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5209966 0.89 SMN1; SMN2 (0.46) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL14609887 0.89 ATM (0.42) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5209957 0.88 ENPP2 (0.43) LMNAKMT2AMEN1MAPTSMN1; SMN2

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 LMNA 4253/4885KMT2A 680/4885MEN1 1626/4885

“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.