SCHEMBL3484542

SCHEMBL3484542

Nc1ccc(Oc2cccc3c2CCO3)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A4 P31645 4/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PDE7A Q13946 1/20 0.32
RHEB Q15382 1/20 0.32
HPGD P15428 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2C P28335 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
SLC9A1 P19634 2/20 0.31

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
SCHEMBL360947 0.81 MTNR1B (0.50) MTNR1AMTNR1BSMN1; SMN2HTR2CHTR2A
SCHEMBL3484194 0.79 KMT2A (0.52) GAAMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL10962477 0.75 IDO1 (0.41) CYP3A4HPGD
SCHEMBL5998743 0.74 MTNR1A (0.37) MTNR1AMTNR1BSLC6A2SLC6A3SLC6A4
SCHEMBL1964539 0.73 CYP3A4 (0.56) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL3484409 0.73 HPGD (0.50) MAPTSMN1; SMN2KDM4ECYP3A4PDE7A
SCHEMBL632218 0.72 CYP3A4 (0.46) SLC6A2SLC6A3SLC6A4GAASMN1; SMN2
SCHEMBL22069692 0.71 RHEB (0.45) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL11028338 0.71 CYP3A4 (0.42) SLC6A2SLC6A3SLC6A4GAAMAPT
SCHEMBL8154176 0.70 CYP3A4 (0.41) SLC6A2SLC6A3SLC6A4GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MTNR1A 1103/4885MTNR1B 1089/4885SLC6A2 4577/4885

“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.