SCHEMBL26186724

SCHEMBL26186724

CC(O)N(c1cccc(C(F)(F)F)c1)c1cc(N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PNMT P11086 1/20 0.41
▸ HRH4 Q9H3N8 3/20 0.40
▸ AURKA O14965 2/20 0.38
▸ CETP P11597 3/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 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
SCHEMBL26186730 0.78 HRH4 (0.39) HRH4
SCHEMBL26186399 0.78 TSHR (0.42) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL30285546 0.78 TSHR (0.42) TSHRMAPK1NOS3NOS2ALDH1A1
SCHEMBL26186755 0.72 PIK3CA (0.34) HRH4NOS3NOS2ALDH1A1
SCHEMBL10700474 0.71 CETP (0.49) TSHRMAPK1PNMTCETPHTR2A
SCHEMBL26186758 0.68 HRH4 (0.43) HRH4HDAC6ALDH1A1
SCHEMBL13338397 0.67 IDO1 (0.44) TSHRMAPK1PNMTCETPHTR2A
SCHEMBL26186669 0.67 GRIN2B (0.31) MAPK14
Butanol SCHEMBL10687791 0.66 TSHR (0.67) TSHRMAPK1PNMTNOS3NOS2
SCHEMBL31067471 0.65 TSHR (0.66) TSHRMAPK1PNMTHTR2AHTR2C

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-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 — — 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-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 TSHR 1159/4885MAPK1 1561/4885PNMT 770/4885

“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.

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