SCHEMBL1681424

SCHEMBL1681424

CCOC(OCC)C(N)=Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ S1PR4 O95977 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PTGS2 P35354 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL27640248 0.80 LMNA (0.45) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL28567838 0.71 SLC9A3 (0.35) LMNAMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1681425 0.69 KMT2A (0.40) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL4298832 0.69 KMT2A (0.40) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL558594 0.68 NOS1 (0.37) —
SCHEMBL569625 0.68 LMNA (0.43) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL3604985 0.67 KMT2A (0.44) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL6770445 0.67 KMT2A (0.49) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL3604983 0.67 KMT2A (0.44) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL6770448 0.67 KMT2A (0.49) KMT2AMEN1LMNAMAPTNPSR1

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 — — US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 — — US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 — — US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 — — EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 — — EP 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 (2 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 KMT2A 3747/4885MEN1 351/4885LMNA 2372/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KMT2A 3740/4885MEN1 248/4885LMNA 2208/4885

“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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