SCHEMBL30905970

SCHEMBL30905970

COc1ccc(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.41
HTR2A P28223 4/20 0.40
SLC6A4 P31645 4/20 0.40
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 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
SCHEMBL322093 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL473959 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL30193796 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7110300 0.82 SLC6A4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL18147853 0.81 AHR (0.59) CYP1A2ABL1KDM4EAHR
SCHEMBL18147851 0.81 AHR (0.59) CYP1A2ABL1KDM4EAHR
SCHEMBL29768449 0.80 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1145316 0.80 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL28260600 0.79 NQO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL19785375 0.78 HSP90AA1 (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 WO disclosed
US-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-09-25 US disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
WO-2025119975-A1 A METHOD FOR SYNTHESIS OF HARMINE RECONNECT LABS AG (CH) 2025-06-12 WO disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 646/4885CA1 3203/4885CA2 478/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885

“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.