SCHEMBL19806071

SCHEMBL19806071

C#Cc1cccc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PTPN1 P18031 1/20 0.40
FFAR1 O14842 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PYCR1 P32322 2/20 0.36
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
CYP1A2 P05177 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL29976533 1.00 TRPA1 (0.42) TRPA1ALDH1A1TSHRCA12CA1
SCHEMBL3838668 0.82 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL29393429 0.78 MEP1A (0.53) TRPA1ALDH1A1TSHRFFAR1CYP1A1
SCHEMBL30045190 0.78 PNMT (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL132043 0.78 MEP1A (0.53) TRPA1ALDH1A1TSHRFFAR1CYP1A1
SCHEMBL14249396 0.78 PTPN1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL4338450 0.78 PNMT (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL2795596 0.78 TP53 (0.42) TRPA1CA12CA1CA2CA9
SCHEMBL20838047 0.78 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL510419 0.78 FFAR1 (0.46) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB TRPA1 3751/4885ALDH1A1 550/4885TSHR 4738/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB TRPA1 3751/4885ALDH1A1 550/4885TSHR 4738/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB TRPA1 3751/4885ALDH1A1 550/4885TSHR 4738/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB TRPA1 3751/4885ALDH1A1 550/4885TSHR 4738/4885

“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.