SCHEMBL25085575

SCHEMBL25085575

N#CCCCCNc1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.36
F2R P25116 3/20 0.35
RXFP1 Q9HBX9 9/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX7 Q99572 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
SCHEMBL23059687 0.97 DHODH (0.37) DHODHF2RRXFP1SMN1; SMN2PTGES
SCHEMBL25085498 0.94 SMN1; SMN2 (0.36) DHODHF2RRXFP1SMN1; SMN2PTGES
SCHEMBL25085545 0.93 RXFP1 (0.36) DHODHF2RRXFP1SMN1; SMN2P2RX1
SCHEMBL23059704 0.91 SMN1; SMN2 (0.36) DHODHF2RRXFP1SMN1; SMN2PTGES
SCHEMBL25085588 0.88 RXFP1 (0.36) DHODHF2RRXFP1SMN1; SMN2PTGES
SCHEMBL23059688 0.88 DHODH (0.39) DHODHF2RRXFP1SMN1; SMN2PTGES
SCHEMBL25085595 0.87 SMN1; SMN2 (0.38) DHODHRXFP1SMN1; SMN2PTGES
SCHEMBL23059601 0.85 PTGES (0.35) RXFP1PTGES
SCHEMBL1843056 0.84 ALDH1A1 (0.41) F2RRXFP1SMN1; SMN2P2RX1P2RX7
SCHEMBL25085551 0.83 PTGES (0.37) RXFP1PTGESP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF Metisa Biotechnology Co., Ltd (CN) 2023-03-02 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-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF DDT, INMT, CYP2B6 DHODH 11/4885F2R 2833/4885RXFP1 4724/4885

“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.