SCHEMBL4028062

SCHEMBL4028062

COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ENPP2 Q13822 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL1928480 0.88 ALDH1A1 (0.63) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL5391758 0.88 ALDH1A1 (0.60) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL18425852 0.84 ALDH1A1 (0.67) ALDH1A1POLBKDM4ESMN1; SMN2KMT2A
SCHEMBL4634108 0.81 ENPP2 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL5383038 0.80 ALDH1A1 (0.45) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL4027368 0.80 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL4025535 0.79 HPGD (0.52) ALDH1A1SMN1; SMN2TDP1L3MBTL1ENPP2
SCHEMBL5059357 0.79 KDM4E (0.66) ALDH1A1POLBKDM4ESMN1; SMN2ENPP2
SCHEMBL5402231 0.76 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2L3MBTL1KMT2A
SCHEMBL5258701 0.76 MCHR1 (0.49) ALDH1A1SMN1; SMN2TDP1KMT2AMAPT

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
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 — — EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 — — US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 — — EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 — — WO 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C ALDH1A1 1439/4885POLB 4542/4885KDM4E 3958/4885

“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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