SCHEMBL19251351

SCHEMBL19251351

CC(C)(C)OCc1cccc(-n2cccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MPO P05164 1/20 0.46
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43
GLS O94925 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL19250953 0.84 LMNA (0.53) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL5017674 0.81 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL4404334 0.81 LMNA (0.53) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL327273 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL19240351 0.77 AOC2 (0.48) MAPTFFAR4
SCHEMBL14074977 0.77 LMNA (0.50) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL15432474 0.77 LMNA (0.53) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL321235 0.76 LMNA (0.55) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL1793682 0.75 LMNA (0.78) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL17629558 0.75 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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 (4 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 LMNA 4075/4885MPO 3261/4885HCRTR1 3395/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 LMNA 4075/4885MPO 3261/4885HCRTR1 3395/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 LMNA 4006/4885MPO 3625/4885HCRTR1 2963/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 LMNA 4075/4885MPO 3261/4885HCRTR1 3395/4885

“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.