SCHEMBL30397113

SCHEMBL30397113

ClCOCc1ccccc1.[N]

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TACR1 P25103 2/20 0.42
NAAA Q02083 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
SCHEMBL19520 0.97 TSHR (0.70) TSHRIDO1AGXTALDH1A1CA1
Phosphine SCHEMBL7705717 0.95 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10660158 0.95 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
Hydrochloric Acid SCHEMBL28406455 0.93 TSHR (0.64) TSHRIDO1AGXTALDH1A1CA1
Magnesium Chloride Anhydrous SCHEMBL28406453 0.91 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL344059 0.86 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL71046 0.86 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
Methylene Chloride SCHEMBL27690292 0.84 TSHR (0.83) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL14947971 0.84 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA2
SCHEMBL25310046 0.82 TSHR (0.56) TSHRIDO1AGXTALDH1A1NAAA

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-11952365-B2 Anti-viral compounds ALIGOS THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP 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-11952365-B2 Anti-viral compounds EIF2AK2, ZC3HAV1, HAVCR2 TSHR 4775/4885IDO1 3030/4885AGXT 1557/4885

“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.