SCHEMBL19251088

SCHEMBL19251088

CC(C)(C)c1ccc(C(N)=O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
LRRK2 Q5S007 1/20 0.42
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
HDAC1 Q13547 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 3/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL9314029 0.85 TDP1 (0.42) TDP1LRRK2DGAT1ALDH1A1MEN1
SCHEMBL19240369 0.83 ALDH1A1 (0.41) TDP1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL2346964 0.83 TDP1 (0.56) TDP1ALDH1A1HDAC1ALOX15HSD17B10
SCHEMBL4791192 0.83 TDP1 (0.44) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10418922 0.82 TDP1 (0.50) TDP1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL1690495 0.81 TDP1 (0.49) TDP1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL2054636 0.79 ALDH1A1 (0.55) TDP1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL2054574 0.79 ALDH1A1 (0.55) TDP1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL26615858 0.79 CFTR (0.47) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27498316 0.79 HSP90AB1 (0.43) TDP1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989200-A Boron-containing nitrogen compounds and their use in organic electronic devices 广州追光科技有限公司 2022-09-02 CN disclosed
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-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 (3 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 TDP1 813/4885LRRK2 2080/4885DGAT1 4657/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 TDP1 650/4885LRRK2 2094/4885DGAT1 4807/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 TDP1 813/4885LRRK2 2080/4885DGAT1 4657/4885

“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.