SCHEMBL3702604

SCHEMBL3702604

O=C(O)CNC1=CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL3700324 0.94 RAB9A (0.46) TP53RAB9AHDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL11871911 0.94 RAB9A (0.46) TP53RAB9AHDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL11870858 0.94 RAB9A (0.46) TP53RAB9AHDAC4HDAC2HDAC8
SCHEMBL11879078 0.92 RAB9A (0.44) TP53RAB9AHDAC4HDAC2HDAC8
SCHEMBL9102041 0.92 RAB9A (0.44) TP53RAB9AHDAC4HDAC2HDAC8
SCHEMBL28330036 0.90
Isoleucine SCHEMBL5564710 0.80 KMT2A (0.38) TP53RAB9AGRIA1GRIA3GRIA4
Isoleucine SCHEMBL5564713 0.80 KMT2A (0.38) TP53RAB9AGRIA1GRIA3GRIA4
Hydrochloric Acid SCHEMBL11871905 0.79 HDAC4 (0.38) TP53RAB9AHDAC4HDAC2HDAC8
SCHEMBL11874913 0.77 HDAC4 (0.39) RAB9AHDAC4HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877738-B2 Antipathogenic peptides SPIDERBIOTECH S.R.L. (IT) 2014-11-04 US claimed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
EP-2462155-A1 NOVEL ANTIPATHOGENIC PEPTIDES Spiderbiotech S.r.l. (IT) 2012-06-13 EP claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
US-20120121623-A1 NOVEL ANTIPATHOGENIC PEPTIDES SPIDERBIOTCH S.r.L. (IT) 2012-05-17 US claimed
WO-2011015628-A1 NOVEL ANTIPATHOGENIC PEPTIDES SPIDERBIOTECH S.R.L. (IT) 2011-02-10 WO claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
US-6649814-B2 Nucleotide sequences coding enzymatic polypeptide for use in the generation of disease, pest and insect resistant plants SYNGENTA PARTICIPATIONS AG (CH) 2003-11-18 US claimed
US-20030041346-A1 Cytochrome P450 monooxygenases HALKIER BARBARA A (DK) 2003-02-27 US claimed
US-6300544-B1 ISOLATED NUCLEIC ACIDS; CATALYZES THE CONVERSION OF AN ALDOXIME TO THE CORRESPONDING NITRILE AND THEN TO THE CYANOHYDRIN FOR BIOSYNTHESIS OF CYANOGLYCOSIDES; PEST RESISTANT TRANSGENIC PLANTS OR PLANTS WITH NUTRITIVE VALUE SYNGENTA PARTICIPATIONS AG (CH) 2001-10-09 US claimed
EP-0970191-A2 CYTOCHROME P450 MONOOXYGENASES Novartis AG (CH) 2000-01-12 EP claimed
WO-1998040470-A2 CYTOCHROME P450 MONOOXYGENASES NOVARTIS AG (CH) 1998-09-17 WO claimed
CN-108671060-A A kind of Traditional Chinese medicine bacteriostatic disinfectant lotion and preparation method thereof 王世鑫 2018-10-19 CN disclosed
CN-104958460-A External lotion for treating scabies and preparation method WANG XINGTONG 2015-10-07 CN disclosed
EP-2462155-B1 NOVEL ANTIPATHOGENIC PEPTIDES SPIDERBIOTECH SRL (IT) 2015-05-27 EP disclosed
US-8877738-B2 Antipathogenic peptides SPIDERBIOTECH S.R.L. (IT) 2014-11-04 US disclosed
WO-1995016041-A1 CYTOCHROME P-450 MONOOXYGENASES CIBA-GEIGY AG (CH) 1995-06-15 WO disclosed
CN-1082533-A The preparation method who is used for the 1-cyclopentyl alkanamine of synthetic sweetener COCA COLA CO (US) 1994-02-23 CN disclosed
WO-1994002441-A1 A PROCESS FOR MAKING 1-CYCLOPENTYLALKYL AMINES USEFUL FOR THE SYNTHESIS OF SWEETENERS THE COCA-COLA COMPANY (US) 1994-02-03 WO disclosed
US-5225591-A One-step reduction of an azanorbornene THE COCA-COLA COMPANY (US) 1993-07-06 US 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TP53 4797/4885RAB9A 2128/4885HDAC4 1713/4885
US-20120121623-A1 NOVEL ANTIPATHOGENIC PEPTIDES MAVS, VIP, ZC3HAV1 TP53 838/4885RAB9A 3088/4885HDAC4 3927/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TP53 4797/4885RAB9A 2128/4885HDAC4 1713/4885

“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.