SCHEMBL21563473

SCHEMBL21563473

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Br)c1NC(=O)c1cccc(N(CC#N)C(=O)c2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.38
TSHR P16473 1/20 0.33
DHODH Q02127 3/20 0.32
POLQ O75417 1/20 0.32
MAPT P10636 1/20 0.32
P2RX1 P51575 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
POLB P06746 1/20 0.31
MLYCD O95822 1/20 0.31
PTGER4 P35408 1/20 0.30
F2R P25116 1/20 0.30
CYP2C9 P11712 1/20 0.30
BRAF P15056 1/20 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
SCHEMBL23716797 0.95 GPBAR1 (0.35) GPBAR1DHODHPOLQKCNK3KCNK9
SCHEMBL30266971 0.95 GPBAR1 (0.35) GPBAR1DHODHPOLQKCNK3KCNK9
SCHEMBL23716778 0.91 POLQ (0.38) GPBAR1POLQMAPTKCNK3KCNK9
SCHEMBL21563800 0.91 GPBAR1 (0.34) GPBAR1DHODHPOLQMAPTP2RX1
SCHEMBL23716450 0.91 GPBAR1 (0.33) GPBAR1DHODHPOLQMLYCD
SCHEMBL23716929 0.88 SMN1; SMN2 (0.36) GPBAR1POLQMAPTP2RX1
SCHEMBL23716447 0.86 GPBAR1 (0.36) GPBAR1DHODHPOLQP2RX1KCNK3
SCHEMBL21707901 0.86 HDAC8 (0.39) GPBAR1TSHRDHODHMAPTP2RX1
SCHEMBL24914867 0.85 POLB (0.35) GPBAR1TSHRPOLQMAPTP2RX1
SCHEMBL23059714 0.84 GPBAR1 (0.34) GPBAR1

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-20210238126-A1 Benzamide Compound and Use Thereof METISA BIOTECHNOLOGY CO.,LTD. (CN) 2021-08-05 US disclosed
WO-2019214588-A1 BENZAMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 (CN) 2019-11-14 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 (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-20210238126-A1 Benzamide Compound and Use Thereof TMBIM6, BCHE, DDT GPBAR1 1655/4885TSHR 2922/4885DHODH 260/4885

“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.