SCHEMBL21840703

SCHEMBL21840703

O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2cccc(Br)c2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ HTT P42858 6/20 0.69
▸ MAPT P10636 6/20 0.69
▸ NPC1 O15118 6/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ POLB P06746 4/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ XBP1 P17861 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ MCOLN3 Q8TDD5 1/20 0.67
▸ PTK2 Q05397 3/20 0.54
▸ NPSR1 Q6W5P4 5/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TP53 P04637 2/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL18496205 0.86 HTT (0.82) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21840708 0.86 ALDH1A1 (0.82) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL17799191 0.82 HTT (1.00) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL18496207 0.80 ALDH1A1 (1.00) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21840694 0.80 RAB9A (0.82) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21840713 0.79 ALDH1A1 (0.67) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21840702 0.77 MAPT (0.77) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21840707 0.76 RAB9A (0.76) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL18496181 0.76 POLB (0.68) RAB9AALDH1A1HTTMAPTNPC1
SCHEMBL21247763 0.75 ALDH1A1 (0.64) RAB9AALDH1A1HTTMAPTNPC1

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-20200113897-A1 PYRIDAZINONES AND THEIR USE IN THE TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-04-16 — — US claimed
US-11110089-B2 Pyridazinones and their use in the treatment of cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-09-07 — — US disclosed
US-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER CINDA PHARMA AB (SE) 2021-02-11 — — US disclosed
US-20200113897-A1 PYRIDAZINONES AND THEIR USE IN THE TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-04-16 — — 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 (3 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-11110089-B2 Pyridazinones and their use in the treatment of cancer PDXK, CCNY, PNPO RAB9A 2697/4885ALDH1A1 819/4885HTT 4292/4885
US-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER TXNRD3, TXNRD1, TXNRD2 RAB9A 4461/4885ALDH1A1 2694/4885HTT 3817/4885
US-20200113897-A1 PYRIDAZINONES AND THEIR USE IN THE TREATMENT OF CANCER PDXK, CCNY, PNPO RAB9A 2697/4885ALDH1A1 819/4885HTT 4292/4885

“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.

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