SCHEMBL1680876

SCHEMBL1680876

CNc1ccc(C(=O)NCc2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HTT P42858 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGDS O60760 4/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ GCK P35557 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MAOB P27338 1/20 0.50

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
SCHEMBL1680694 0.85 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL1680391 0.84 LMNA (0.61) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL1680794 0.80 RAB9A (0.72) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL1680693 0.80 LMNA (0.56) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL19023188 0.77 P4HTM (0.54) LMNASMN1; SMN2L3MBTL1NPC1ALDH1A1
SCHEMBL31530128 0.77 LMNA (0.65) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL16110424 0.76 L3MBTL1 (0.66) LMNASMN1; SMN2L3MBTL1HPGDSRAB9A
SCHEMBL1680704 0.76 L3MBTL1 (0.49) LMNASMN1; SMN2HDAC1L3MBTL1HPGDS
SCHEMBL8519393 0.75 BCHE (0.63) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL31499223 0.74 LMNA (0.61) LMNASMN1; SMN2MEN1KMT2AHTT

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 12 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 — — US disclosed
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-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 — — US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 — — US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 — — US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 — — US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 — — 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 (3 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 LMNA 2372/4885SMN1; SMN2 4831/4885MEN1 351/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD LMNA 698/4885SMN1; SMN2 4683/4885MEN1 1165/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 LMNA 2208/4885SMN1; SMN2 4814/4885MEN1 248/4885

“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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