SCHEMBL3341534

SCHEMBL3341534

O=C1C=CC(=O)C(N(CCO)CCO)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL15517522 0.89 SLC29A1 (0.35) MAPTALDH1A1RECQLNPC1MITF
SCHEMBL8756842 0.80 ALDH1A1 (0.35) MAPTALDH1A1RECQLL3MBTL1MEN1
SCHEMBL28549550 0.79 ACHE (0.40) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL3673241 0.79 MEN1 (0.38) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL28570427 0.76 ACHE (0.46) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL28562469 0.74 ACHE (0.38) MAPTALDH1A1RECQLBLMMEN1
SCHEMBL28553031 0.73 ACHE (0.51) MAPTALDH1A1MEN1KMT2AHPGD
Trolamine SCHEMBL28076459 0.67 MAPK1 (0.44) MAPTALDH1A1RECQLHTTBLM
SCHEMBL5179874 0.66 ERBB2 (0.41) MAPTALDH1A1RECQLBLMMEN1
SCHEMBL7833680 0.64 ALDH1A1 (0.78) MAPTALDH1A1RECQLNPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796730-B2 Halogenated benzoxazines and their use EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-10-24 — — US disclosed
EP-2890700-A1 HALOGENATED BENZOXAZINES AND USE THEREOF Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2015-07-08 — — EP disclosed
US-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 — — US disclosed
WO-2014032732-A1 HALOGENATED BENZOXAZINES AND USE THEREOF EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2014-03-06 — — WO disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 — — 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-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE XDH, BAZ1A, CYP4Z1 MAPT 99/4885ALDH1A1 819/4885RECQL 1655/4885

“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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