SCHEMBL12335085

SCHEMBL12335085

O=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ EPHX2 P34913 5/20 0.56
▸ EPHX1 P07099 5/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ NLRP3 Q96P20 1/20 0.56
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL12334454 0.90 EPHX2 (0.59) NPC1RAB9AEPHX2KMT2ANAMPT
SCHEMBL12336159 0.87 EPHX2 (0.52) LMNAEPHX2EPHX1MEN1KMT2A
SCHEMBL12336147 0.84 EPHX2 (0.54) EPHX2EPHX1KMT2ANAMPTHRH3
SCHEMBL12335330 0.84 CNR1 (0.67) NPC1LMNARAB9AEPHX2MEN1
SCHEMBL14324509 0.82 CNR1 (0.65) LMNAMAPK1RAB9AEPHX2MEN1
SCHEMBL12335459 0.82 CNR1 (0.62) NPC1RAB9AEPHX2EPHX1HTT
SCHEMBL2458026 0.81 IKBKB (0.65) LMNAMAPK1EPHX2MEN1KMT2A
SCHEMBL12335473 0.81 HTT (0.69) NPC1LMNAHPGDRAB9AEPHX2
SCHEMBL12334456 0.81 CNR1 (0.63) EPHX2MEN1KMT2ACA1CA2
SCHEMBL12335329 0.80 CNR1 (0.64) NPC1LMNAMAPK1RAB9AEPHX2

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
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — 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 (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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NPC1 2124/4885LMNA 4409/4885HPGD 1388/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NPC1 2124/4885LMNA 4409/4885HPGD 1388/4885

“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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