SCHEMBL3375220

SCHEMBL3375220

O=C1[N]C(=O)c2c(F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
TTR P02766 1/20 0.38
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NOTUM Q6P988 1/20 0.34
PDK2 Q15119 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL9781818 0.74 CES1 (0.38) NOTUMNPC1RAB9AALDH1A1MAPT
SCHEMBL2884290 0.74 CA1 (0.46) CA2CA1CA7CA9NPC1
SCHEMBL4850007 0.74 MAOA (0.56) CA2CA1CA7CA9L3MBTL1
SCHEMBL7222595 0.74 ADORA2A (0.50) PTPRCRAB9AL3MBTL1LMNAALDH1A1
SCHEMBL10621855 0.74 HDAC4 (0.47) LMNAALDH1A1MAPT
SCHEMBL5866470 0.72 CA1 (0.52) CA2CA1CA7CA9TTR
SCHEMBL10716838 0.72 MAOA (0.52) CA2CA1CA7CA9TTR
SCHEMBL13487412 0.72 CA1 (0.52) CA2CA1CA7CA9TTR
SCHEMBL22129686 0.70 CA1 (0.48) CA2CA1CA7CA9TTR
SCHEMBL19888 0.70 MEN1 (0.50) CA2CA1CA7CA9PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470844-B2 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2013-06-25 US disclosed
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-06-03 US disclosed
WO-2006002022-A2 COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA IMMUSOL INCORPORATED (US) 2006-01-05 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
US-20040110228-A1 Combinatorial organic synthesis of unique biologically active compounds MCALPINE SHELLI R (US) 2004-06-10 US disclosed
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG. (DE) 2004-05-27 US disclosed
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP disclosed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 US disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 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 (4 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-20040110228-A1 Combinatorial organic synthesis of unique biologically active compounds PCNA, TOP1, TOP2A CA2 2673/4885CA1 1400/4885CA7 1718/4885
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use IDH3A, IDH3B, ABL1 CA2 1534/4885CA1 1027/4885CA7 179/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 CA2 3339/4885CA1 3298/4885CA7 2905/4885
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof TTI1, RPS4Y1, TSNAX CA2 4558/4885CA1 4589/4885CA7 4033/4885

“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.