SCHEMBL29579481

SCHEMBL29579481

[2H]C([2H])([2H])Oc1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.45
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AR P10275 3/20 0.42
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL30349882 0.88 GAA (0.55) GAAPOLBTSHRIMPDH2IMPDH1
SCHEMBL104280 0.85 POLB (0.66) GAAPOLBTSHRIMPDH2IMPDH1
SCHEMBL29518610 0.85 POLB (0.66) GAAPOLBTSHRIMPDH2IMPDH1
SCHEMBL19820790 0.83 POLB (0.63) GAAPOLBTSHRIMPDH2IMPDH1
SCHEMBL28008968 0.83 POLB (0.63) GAAPOLBTSHRIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL1144931 0.83 POLB (0.63) GAAPOLBTSHRIMPDH2IMPDH1
Thianthrene SCHEMBL30427600 0.79 POLB (0.54) GAAPOLBTSHRIMPDH2IMPDH1
SCHEMBL28312002 0.77 GAA (0.53) GAAPOLBTSHRIMPDH2IMPDH1
1,2-Dimethoxybenzene SCHEMBL3661985 0.77 CA1 (0.61) POLBTSHRSMN1; SMN2ALDH1A1KDM4E
1,2-Dimethoxybenzene SCHEMBL31501593 0.77 CA1 (0.61) POLBTSHRSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062406-A1 Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2026-03-05 US disclosed
US-12371425-B2 Benzisoxazole sulfonamide derivatives PFIZER INC. (US) 2025-07-29 US disclosed
CN-116529248-A Benzene ring derivative, composition and pharmaceutical application thereof 四川海思科制药有限公司 2023-08-01 CN disclosed
US-20230174522-A1 Benzisoxazole Sulfonamide Derivatives MONASH UNIVERSITY (AU) 2023-06-08 US disclosed
US-11492346-B2 Benzisoxazole sulfonamide derivatives PFIZER INC. (US) 2022-11-08 US disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 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 (4 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-12371425-B2 Benzisoxazole sulfonamide derivatives BRIX1, RB1, BCR GAA 2581/4885POLB 3965/4885TSHR 181/4885
US-11492346-B2 Benzisoxazole sulfonamide derivatives BRIX1, RB1, BCR GAA 2581/4885POLB 3965/4885TSHR 181/4885
US-20260062406-A1 Benzisoxazole Sulfonamide Derivatives KAT8, KAT5, KAT7 GAA 2882/4885POLB 2775/4885TSHR 2001/4885
US-20230174522-A1 Benzisoxazole Sulfonamide Derivatives BRIX1, RB1, BCR GAA 2581/4885POLB 3965/4885TSHR 181/4885

“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.