SCHEMBL3134157

SCHEMBL3134157

Cc1nc(NC(=O)NCCCCCCN)c2[nH]cnc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC2 Q92769 6/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HRH2 P25021 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ XDH P47989 2/20 0.37
▸ PAOX Q6QHF9 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BTK Q06187 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
SCHEMBL17165346 0.76 PIK3CA (0.44) HDAC1HDAC2NPC1RAB9APIK3CA
SCHEMBL31258318 0.76 PIK3CA (0.44) HDAC1HDAC2NPC1RAB9APIK3CA
SCHEMBL16146528 0.75 GDA (0.55) NPC1RAB9APIK3CAMTORXDH
SCHEMBL3298684 0.73 BRD4 (0.56) HDAC1HDAC2NPC1RAB9AEPHX1
SCHEMBL16145763 0.70 CYP1A2 (0.62) HDAC1HDAC2XDHCYP1A2CYP3A4
SCHEMBL3134186 0.69 HDAC1 (0.43) HDAC1HDAC2XDHPAOXGDA
SCHEMBL28878261 0.68 XDH (0.47) PIK3CAMTORXDHPDE2AGDA
SCHEMBL19466078 0.68 NPC1 (0.54) HDAC1HDAC2NPC1RAB9ACYP1A2
SCHEMBL20565 0.67 XDH (0.67) PIK3CAMTORXDHPDE2AGDA
SCHEMBL30523428 0.67 XDH (0.67) PIK3CAMTORXDHPDE2AGDA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2020-08-20 — — US disclosed
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2018-03-15 — — US disclosed
EP-3268021-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION Oxeia Biopharmaceuticals, Inc. (US) 2018-01-17 — — EP disclosed
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-10-05 — — US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 — — US disclosed
EP-3197482-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-08-02 — — EP disclosed
EP-3182992-A1 METHODS OF TREATING MILD BRAIN INJURY Oxeia Biopharmaceuticals Inc. (US) 2017-06-28 — — EP disclosed
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 — — US disclosed
WO-2017075535-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-05-04 — — WO disclosed
WO-2016144978-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2016-09-15 — — WO disclosed
EP-1161246-B1 USE OF CERTAIN DINUCLEOTIDETRIPHOSPHATE, CYTIDINEDIPHOSPHATE AND ADENINEDIPHOSPHATE FOR PREPARING A PHARMACEUTICAL COMPOSITION FOR STIMULATING MUCOSAL HYDRATION INSPIRE PHARMACEUTICALS (US) 2004-11-10 — — EP disclosed
EP-1280536-A2 METHOD FOR TREATING RETINAL DEGENERATION WITH PURINERGIC RECEPTOR AGONISTS Inspire Pharmaceuticals, Inc. (US) 2003-02-05 — — EP disclosed
US-6436910-B1 ESPECIALLY URIDINE 5'-DIPHOSPHATE; STIMULATE MUCIN SECRETION. INSPIRE PHARMACEUTICALS, INC. 2002-08-20 — — US disclosed
US-20020052338-A1 Method of promoting mucosal hydration with certain uridine, adenine and cytidine diphosphates and analogs thereof YERXA BENJAMIN R (US) 2002-05-02 — — US disclosed
US-6331529-B1 TREATMENT OF DRY EYE DISEASE, VAGINAL DRYNESS, RHINOSINUSITIS AND DRY MOUTH INSPIRE PHARMACEUTICALS, INC. 2001-12-18 — — US disclosed
EP-1161246-A2 METHOD OF PROMOTING MUCOSAL HYDRATION WITH CERTAIN URIDINE, ADENINE AND CYTIDINE DIPHOSPHATES AND ANALOGS THEREOF Inspire Pharmaceuticals (US) 2001-12-12 — — EP disclosed
WO-2001087913-A2 METHOD FOR TREATING RETINAL DEGENERATION WITH PURINERGIC RECEPTOR AGONISTS INSPIRE PHARMACEUTICALS, INC. (US) 2001-11-22 — — WO disclosed
EP-1133304-A2 USE OF NUCLEOTIDES AND DINUCLEOTIDES FOR THETREATMENT OF VAGINAL DRYNESS AND VULVAR PAIN Inspire Pharmaceuticals, Inc. (US) 2001-09-19 — — EP disclosed
WO-2000050024-A2 METHOD OF PROMOTING MUCOSAL HYDRATION WITH CERTAIN URIDINE, ADENINE AND CYTIDINE DIPHOSPHATES AND ANALOGS THEREOF INSPIRE PHARMACEUTICALS, INC. (US) 2000-08-31 — — WO disclosed
WO-2000030629-A2 METHOD OF PROMOTING CERVICAL AND VAGINAL SECRETIONS INSPIRE PHARMACEUTICALS, INC. (US) 2000-06-02 — — 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 (6 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR HDAC1 391/4885HDAC2 695/4885NPC1 2112/4885
US-20200261541-A1 METHODS OF TREATING MILD BRAIN INJURY FABP7, PYGB, ATP6V1B2 HDAC1 258/4885HDAC2 469/4885NPC1 965/4885
US-20170121385-A1 METHODS OF TREATING NEURODEGENERATIVE CONDITIONS HTT, SNCA, NLN HDAC1 1091/4885HDAC2 1312/4885NPC1 221/4885
US-20180071367-A1 METHODS OF TREATING COGNITIVE IMPAIRMENTS OR DYSFUNCTION CRH, PYGB, CHAT HDAC1 1590/4885HDAC2 1476/4885NPC1 2854/4885
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY ATP6V1B2, GHSR, CRH HDAC1 188/4885HDAC2 264/4885NPC1 967/4885
US-20020052338-A1 Method of promoting mucosal hydration with certain uridine, adenine and cytidine diphosphates and analogs thereof NUDT1, UMPS, ADORA2A HDAC1 4869/4885HDAC2 4879/4885NPC1 1033/4885

“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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