SCHEMBL12913005

SCHEMBL12913005

C=CCOc1nn(C(=O)OCC)c2ccc(CCCO)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 4/20 0.40
▸ CYP4F2 P78329 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL12946210 0.74 CNR2 (0.50) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL12912991 0.73 CYP3A4 (0.41) ELANE
SCHEMBL940695 0.72 CYP4A11 (0.41) CYP4A11CYP4F2KDM4EPOLBPKM
SCHEMBL12912994 0.70 BCHE (0.45) SMN1; SMN2ELANEKMT2AMEN1
SCHEMBL940726 0.68 CYP4A11 (0.45) CYP4A11CYP4F2LMNAPPARANR1H2
SCHEMBL8246386 0.68 ELANE (0.45) KDM4EALDH1A1SMN1; SMN2LMNAELANE
SCHEMBL12912999 0.66 CNR1 (0.50) —
SCHEMBL940698 0.66 TUBB4A (0.35) CYP4A11CYP4F2KDM4EPOLBPKM
SCHEMBL2300687 0.66 ELANE (0.53) ALDH1A1SMN1; SMN2LMNAELANEMAPT
SCHEMBL19210227 0.66 ELANE (0.50) KDM4EALDH1A1HPGDLMNAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — 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 (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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 CYP4A11 3314/4885CYP4F2 1374/4885KDM4E 1737/4885

“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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