SCHEMBL3255050

SCHEMBL3255050

O=C(NC=CCOC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MGLL Q99685 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SSTR1 P30872 2/20 0.35
▸ SSTR3 P32745 2/20 0.35
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL556964 0.82 KMT2A (0.49) KMT2AEPHX2HTR2AMAPTHTT
SCHEMBL31476468 0.81 KMT2A (0.42) KMT2AEPHX2HTR2AMAPTHTT
SCHEMBL14685603 0.81 KMT2A (0.56) KMT2AEPHX2MAPTHTTRAB9A
SCHEMBL30242885 0.81 KMT2A (0.56) KMT2AEPHX2MAPTHTTRAB9A
SCHEMBL3131957 0.80 SMN1; SMN2 (0.40) KMT2AHTR2ASMN1; SMN2SSTR1SSTR3
SCHEMBL3829326 0.79 MGLL (0.54) KMT2AEPHX2MAPTHTTRAB9A
SCHEMBL3131952 0.79 CASP3 (0.43) KMT2AEPHX2HTR2AMAPTHTT
SCHEMBL31548905 0.79 KMT2A (0.46) KMT2AEPHX2HTR2AMAPTHTT
SCHEMBL31520512 0.79 CYP1A2 (0.43) KMT2AEPHX2HTR2AMAPTHTT
SCHEMBL31520518 0.78 HTR2A (0.43) KMT2AEPHX2HTR2AMAPTHTT

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-7704924-B2 Library of compounds comprising pyrrolobenzodiazepine moieties SPIROGEN LIMITED (GB) 2010-04-27 — — US disclosed
US-20040092736-A1 Collections of compounds SPIROGEN LIMITED 2004-05-13 — — US disclosed
US-6608192-B1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-08-19 — — 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-20040092736-A1 Collections of compounds CBR3, CYCS, CBR1 KMT2A 2225/4885EPHX2 385/4885HTR2A 2518/4885

“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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