SCHEMBL31679040

SCHEMBL31679040

BrC(Br)(c1ccccc1)c1ccccc1.N=C=O.N=C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.36
PTPN1 P18031 1/20 0.34
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL1538898 0.83 ALDH1A1 (0.50) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL28447796 0.81 KCNN4 (0.39) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL9820206 0.79 KCNN4 (0.50) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL3626453 0.77 TSHR (0.48) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL658821 0.77 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1MAPT
SCHEMBL6751140 0.77 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1MAPT
SCHEMBL6841962 0.77 TSHR (0.70) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL5694067 0.77 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1MAPT
SCHEMBL2517256 0.77 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1MAPT
SCHEMBL2363291 0.77 TSHR (0.48) KCNN4ALDH1A1TSHRCYP1A2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388008-A1 FLAME RESISTANT COMPOSITE FABRIC BROOKWOOD COMPANIES INCORPORATED (US) 2025-12-25 US disclosed
US-12403681-B2 Flame resistant composite fabric BROOKWOOD COMPANIES INCORPORATED (US) 2025-09-02 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 (1 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-20250388008-A1 FLAME RESISTANT COMPOSITE FABRIC FAU, PFAS, FLNB KCNN4 3382/4885ALDH1A1 1163/4885TSHR 69/4885

“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.