SCHEMBL14440461

SCHEMBL14440461

CC1(C)c2ccccc2N(CCO)C12C=Nc1c(c(CN(CC=O)CC=O)cc3ccccc13)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
THRB P10828 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
PKM P14618 2/20 0.44
ALOX12 P18054 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
PLIN1 O60240 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38
KMT2A Q03164 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL14427976 0.91 MAPT (0.46) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL13619792 0.89 MAPT (0.43) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14439566 0.89 MAPT (0.56) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14439761 0.88 KDM4E (0.41) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14439581 0.88 KDM4E (0.41) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL13619789 0.87 MAPT (0.48) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14440462 0.84 KDM4E (0.45) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL13619832 0.83 MAPT (0.44) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14428028 0.83 MAPT (0.46) MAPTTHRBSMN1; SMN2KDM4EPKM
SCHEMBL14427996 0.83 MAPT (0.46) MAPTTHRBSMN1; SMN2KDM4EPKM

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-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885SMN1; SMN2 4852/4885

“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.