SCHEMBL25955862

SCHEMBL25955862

Brc1nc(COCc2ccccc2)c(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
XIAP P98170 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GHSR Q92847 6/20 0.36
CYP3A4 P08684 1/20 0.36
CSNK1D P48730 1/20 0.36
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL24093942 0.87 TSHR (0.48) TSHRXIAPHDAC6KDM4EPOLB
SCHEMBL1919029 0.73 CSNK1D (0.55) TSHRCSNK1D
SCHEMBL27380 0.72 TSHR (1.00) TSHRHDAC6KDM4EPOLBIDO1
SCHEMBL5311581 0.72 TSHR (1.00) TSHRHDAC6KDM4EPOLBIDO1
SCHEMBL30239567 0.71 TSHR (0.50) TSHRXIAPKDM4EPOLBGHSR
SCHEMBL23525356 0.71 TSHR (0.38) TSHRXIAPHDAC6KDM4EPOLB
Bromobenzene SCHEMBL17868575 0.71 TSHR (0.75) TSHRKDM4EPOLBIDO1AGXT
SCHEMBL10317949 0.70 TSHR (0.94) TSHRHDAC6KDM4EPOLBIDO1
Potassium SCHEMBL586337 0.70 TSHR (0.94) TSHRHDAC6KDM4EPOLBIDO1
SCHEMBL9725547 0.70 TSHR (0.94) TSHRHDAC6KDM4EPOLBIDO1

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
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TSHR 2598/4885XIAP 3354/4885HDAC6 980/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 1662/4885XIAP 3134/4885HDAC6 2840/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 1662/4885XIAP 3134/4885HDAC6 2840/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TSHR 3838/4885XIAP 950/4885HDAC6 4403/4885

“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.