SCHEMBL19240341

SCHEMBL19240341

CC(C)(C)OCc1cccc(NC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSNK2A2 P19784 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MLNR O43193 1/20 0.34
SLC5A1 P13866 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL20288232 0.87 KDM4E (0.40) KDM4ELMNASMN1; SMN2MALT1ALDH1A1
SCHEMBL19251036 0.83 KDM4E (0.42) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL19251331 0.79 KDM4E (0.40) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL26441392 0.78 RAPGEF4 (0.35) SMN1; SMN2ALDH1A1MAPT
SCHEMBL646850 0.76 IDO1 (0.42)
Hydrochloric Acid SCHEMBL6602265 0.76 SMN1; SMN2 (0.51) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL18901166 0.74 NOS1 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTROCK2
SCHEMBL15710125 0.72 MAPT (0.49) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL24506828 0.71 SMN1; SMN2 (0.57) KDM4ELMNASMN1; SMN2ALDH1A1USP2
SCHEMBL21257469 0.71 SMN1; SMN2 (0.61) KDM4ELMNASMN1; SMN2ALDH1A1USP2

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 8 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-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
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 KDM4E 4503/4885LMNA 4075/4885SMN1; SMN2 288/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KDM4E 4503/4885LMNA 4075/4885SMN1; SMN2 288/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KDM4E 4395/4885LMNA 4006/4885SMN1; SMN2 196/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 KDM4E 4503/4885LMNA 4075/4885SMN1; SMN2 288/4885

“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.