SCHEMBL25848982

SCHEMBL25848982

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ESR1 P03372 1/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC3 O15379 4/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC4 P56524 2/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.51
LSS P48449 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK14 Q16539 1/20 0.49
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL20477546 0.84 HDAC3 (0.53) HDAC1HDAC3HDAC6HDAC4LSS
SCHEMBL7160965 0.84 KMT2A (0.60) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL20477567 0.83 HDAC1 (0.56) KDM4EHDAC1HDAC3HDAC6HDAC4
SCHEMBL2207597 0.83 HDAC1 (0.75) HDAC1HDAC3HDAC6HDAC4LSS
SCHEMBL7163662 0.81 RAB9A (0.74) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL4927332 0.81 HPGD (0.65) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL25848940 0.79 LSS (0.50) HDAC1HDAC3HDAC6HDAC4LSS
SCHEMBL24196677 0.78 LSS (0.49) HDAC1HDAC3HDAC6HDAC4LSS
SCHEMBL4918189 0.78 HDAC1 (0.57) HDAC1HDAC3HDAC6HDAC4LSS
SCHEMBL7156108 0.78 KMT2A (0.70) KMT2AGAANPSR1RXFP1KDM4E

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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US disclosed
CN-116075297-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-05-05 CN 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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KMT2A 232/4885GAA 586/4885NPSR1 2433/4885

“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.