SCHEMBL21594935

SCHEMBL21594935

COCn1cccc(Br)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER3 P43115 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL1441164 0.79 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KDM4EHDAC3
SCHEMBL21602084 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL29255151 0.76 KDM4E (0.49) ALDH1A1TSHRHSD17B10PTGER3KDM4E
SCHEMBL608253 0.76 CNR2 (0.43) ALDH1A1TSHRHSD17B10HDAC3HDAC4
SCHEMBL21602090 0.75 MAPT (0.38) ALDH1A1TSHRHSD17B10KDM4EHDAC3
SCHEMBL21602303 0.75 PTGS2 (0.36) TSHRHPGDLMNA
SCHEMBL27739326 0.75 HDAC3 (0.35) ALDH1A1TSHRHSD17B10KDM4EHDAC3
SCHEMBL31165783 0.74 SMN1; SMN2 (0.42) ALDH1A1TSHRHSD17B10KDM4EHDAC3
SCHEMBL28966300 0.73 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10KDM4ELMNA
SCHEMBL21595152 0.72 HDAC3 (0.39) ALDH1A1TSHRHSD17B10KDM4EHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
CN-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 CN disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (6 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885HSD17B10 3093/4885

“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.