SCHEMBL21840713

SCHEMBL21840713

O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccc(Br)o2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.67
▸ HTT P42858 14/20 0.67
▸ RAB9A P51151 13/20 0.67
▸ MAPT P10636 9/20 0.67
▸ NPC1 O15118 9/20 0.67
▸ POLB P06746 7/20 0.67
▸ XBP1 P17861 2/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ MCOLN3 Q8TDD5 1/20 0.67
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ NPSR1 Q6W5P4 10/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ MITF O75030 4/20 0.45
▸ PKM P14618 3/20 0.45
▸ BLM P54132 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ LMNA P02545 6/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41

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 0.82 HTT (0.82) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL18496207 0.81 ALDH1A1 (1.00) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21840708 0.80 ALDH1A1 (0.82) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL17799191 0.80 HTT (1.00) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21840703 0.79 RAB9A (0.69) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21840694 0.78 RAB9A (0.82) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL18496181 0.76 POLB (0.68) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21840702 0.75 MAPT (0.77) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21247769 0.75 HTT (0.63) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL21247501 0.75 HTT (0.63) ALDH1A1HTTRAB9AMAPTNPC1

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 ALDH1A1 819/4885HTT 4292/4885RAB9A 2697/4885
US-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER TXNRD3, TXNRD1, TXNRD2 ALDH1A1 2694/4885HTT 3817/4885RAB9A 4461/4885
US-20200113897-A1 PYRIDAZINONES AND THEIR USE IN THE TREATMENT OF CANCER PDXK, CCNY, PNPO ALDH1A1 819/4885HTT 4292/4885RAB9A 2697/4885

“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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