SCHEMBL25085519

SCHEMBL25085519

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1cccc(N(CCCCC#N)C(=O)c2ccc(C(F)(F)F)nc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.37
LCK P06239 2/20 0.32
P2RX7 Q99572 3/20 0.32
MLYCD O95822 1/20 0.31
CYP2C9 P11712 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31
AURKA O14965 3/20 0.30
RPS6KB1 P23443 3/20 0.30
AURKB Q96GD4 1/20 0.30
KCNJ11 Q14654 2/20 0.30

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
SCHEMBL23059713 0.92 GPBAR1 (0.32) GPBAR1P2RX7KCNJ11
SCHEMBL25085582 0.92 GPBAR1 (0.32) GPBAR1
SCHEMBL23059746 0.88 GPBAR1 (0.36) GPBAR1P2RX7MLYCD
SCHEMBL25085499 0.86 GPBAR1 (0.31) GPBAR1
SCHEMBL25085569 0.86 AR (0.32) GPBAR1
SCHEMBL23059753 0.85 GPBAR1 (0.31) GPBAR1
SCHEMBL25085598 0.85 AR (0.32) GPBAR1
SCHEMBL23059628 0.84 GPBAR1 (0.34) GPBAR1LCKP2RX7BRAFKDR
SCHEMBL23059629 0.84 GPBAR1 (0.34) GPBAR1P2RX7AURKAAURKB
SCHEMBL25085576 0.82 GPBAR1 (0.32) GPBAR1MLYCD

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 GPBAR1 952/4885LCK 2077/4885P2RX7 1519/4885

“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.