SCHEMBL21090671

SCHEMBL21090671

Cn1nnc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.49
▸ SCN5A Q14524 3/20 0.44
▸ SCN2B O60939 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN1B Q07699 1/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ MAPT P10636 4/20 0.41
▸ MPO P05164 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EPHB2 P29323 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KLRK1 P26718 1/20 0.40

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
SCHEMBL21090804 0.90 SCN9A (0.50) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL21054684 0.89 AKR1C3 (0.47) SCN9AAKR1C3AKR1C2MAPTMPO
SCHEMBL21054916 0.87 AKR1C3 (0.53) AKR1C3AKR1C2MPO
SCHEMBL30061296 0.87 AKR1C3 (0.53) AKR1C3AKR1C2MPO
SCHEMBL21090661 0.86 NPSR1 (0.52) AKR1C3AKR1C2MAPTMPOEPHB2
SCHEMBL21053159 0.86 MAPT (0.46) AKR1C3AKR1C2MAPTMPOEPHB2
SCHEMBL30063461 0.86 NPSR1 (0.52) AKR1C3AKR1C2MAPTMPOEPHB2
SCHEMBL21090762 0.86 DDR2 (0.48) AKR1C3AKR1C2MAPTMPOEPHB2
SCHEMBL21054301 0.85 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL29438861 0.85 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMPORXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — 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 (2 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 SCN9A 4189/4885SCN5A 4459/4885SCN2B 3912/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 SCN9A 1817/4885SCN5A 1926/4885SCN2B 1563/4885

“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.

Send feedback