SCHEMBL21669713

SCHEMBL21669713

COc1ncccc1C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
P2RX7 Q99572 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
MAPK8 P45983 1/20 0.41
RAB9A P51151 2/20 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
SCHEMBL20795421 0.86 GAA (0.43) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL13545148 0.85 MAPT (0.47) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL6609846 0.84 TDP1 (0.47) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL21669712 0.83 ALDH1A1 (0.47) GAAMAPTTDP1ALDH1A1P2RX7
Hydrochloric Acid SCHEMBL3898462 0.83 TDP1 (0.46) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL7221020 0.82 MAPT (0.48) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL949562 0.80 TDP1 (0.50) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL20837329 0.80 ALDH1A1 (0.66) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL30623889 0.80 ALDH1A1 (0.66) GAAMAPTTDP1ALDH1A1P2RX7
SCHEMBL1694218 0.80 MAPT (0.46) GAAMAPTTDP1ALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 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-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 GAA 410/4885MAPT 3101/4885TDP1 1002/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 GAA 410/4885MAPT 3101/4885TDP1 1002/4885

“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.