SCHEMBL4421142

SCHEMBL4421142

C=C1Oc2ccc(OC)c(-c3c4n(c5ccccc35)CCN(C)C4)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
NPC1 O15118 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 1/20 0.32
AVPR1B P47901 1/20 0.31
HTR6 P50406 4/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
DUSP3 P51452 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMARCA4 P51532 1/20 0.30

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
SCHEMBL4420502 0.83 HTR2C (0.38) HTR2CHTR2AHTR2BNPC1HTR6
SCHEMBL4420499 0.69 HTR2C (0.38) ALDH1A1HTR2CHTR2AHTR6KDM4E
SCHEMBL4557945 0.66 CYP1A1 (0.47) ALDH1A1PRKCAGSK3BKDM4EMEN1
SCHEMBL16201631 0.59 MTNR1A (0.45) ALDH1A1MTNR1AMTNR1BHTR2CHTR2A
SCHEMBL4592565 0.58 MTNR1A (0.43) MTNR1AMTNR1BNPC1HTR6KDM4E
SCHEMBL4686238 0.58 KCNA5 (0.53) ALDH1A1MTNR1AMTNR1BHTR6KDM4E
Hydrochloric Acid SCHEMBL4875908 0.58 MTNR1A (0.42) ALDH1A1MTNR1AMTNR1BHTR6KDM4E
SCHEMBL6979869 0.58 ALDH1A1 (0.42) ALDH1A1NPC1KDM4EMEN1USP2
SCHEMBL10730651 0.57 HTR2A (0.45) ALDH1A1HTR2CHTR2AHTR2BHTR6
SCHEMBL8447679 0.54 MEN1 (0.46) ALDH1A1NPC1KDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A ALDH1A1 3904/4885MTNR1A 2107/4885MTNR1B 2048/4885

“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.