SCHEMBL19240367

SCHEMBL19240367

C=C(c1ccc(C(C)(C)C)cc1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
LMNA P02545 1/20 0.44
TYR P14679 1/20 0.44
SRD5A2 P31213 1/20 0.44
NR1H4 Q96RI1 2/20 0.42
EPHX2 P34913 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL31301102 0.79 HDAC1 (0.47) HDAC1LMNASRD5A2NR1H4EPHX2
SCHEMBL28160104 0.77 LMNA (0.52) HDAC1LMNATYRSRD5A2NR1H4
SCHEMBL14039456 0.76 ACHE (0.50) NR1H4ALDH1A1MAPTHSD17B10HDAC3
SCHEMBL28402174 0.75 LMNA (0.50) HDAC1LMNATYRSRD5A2NR1H4
SCHEMBL25907927 0.75 SRD5A2 (0.54) HDAC1LMNATYRSRD5A2NR1H4
SCHEMBL465848 0.75 TSHR (0.52) HDAC1LMNATYRSRD5A2NR1H4
SCHEMBL12422670 0.75 ALDH1A1 (0.44) HDAC1LMNASRD5A2TSHRALDH1A1
SCHEMBL4403418 0.74 NR1H4 (0.68) HDAC1SRD5A2NR1H4EPHX2TSHR
SCHEMBL13336140 0.74 HDAC1 (0.45) HDAC1LMNATYRSRD5A2NR1H4
SCHEMBL7785831 0.74 HDAC1 (0.45) HDAC1LMNATYRSRD5A2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HDAC1 1374/4885LMNA 4075/4885TYR 840/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HDAC1 1538/4885LMNA 4006/4885TYR 907/4885

“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.