SCHEMBL4023982

SCHEMBL4023982

CCOc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALPL P05186 5/20 0.44
MAPK1 P28482 1/20 0.43
RAD52 P43351 1/20 0.42

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
SCHEMBL2771874 0.84 POLB (0.46) POLBRAB9ALMNAKMT2AALDH1A1
SCHEMBL4023021 0.82 POLB (0.64) POLBMAPTGAALMNAMAPK1
SCHEMBL6549773 0.82 POLB (0.68) POLBMAPTGAAKMT2AKDM4E
SCHEMBL12092542 0.78 ALDH1A1 (0.52) POLBMAPTLMNAKMT2AALDH1A1
SCHEMBL12077053 0.78 RAB9A (0.47) MAPTNPC1RAB9APKMLMNA
SCHEMBL7555227 0.77 POLB (0.62) POLBMAPTGAANPC1RAB9A
SCHEMBL6986797 0.77 TSHR (0.48) POLBMAPTGAANPC1RAB9A
SCHEMBL8995732 0.76 POLB (0.50) POLBMAPTGAANPC1RAB9A
SCHEMBL7350556 0.75 MAPKAPK2 (0.43) POLBNPC1RAB9APKMLMNA
SCHEMBL19956891 0.75 KMT2A (0.49) POLBNPC1RAB9APKMLMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 EP disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO disclosed
US-5403854-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5403853-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5401753-A Smooth muscle relaxants for urogenital disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-28 US disclosed
US-5397790-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-14 US disclosed
US-5354763-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-11 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 (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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 POLB 2992/4885MAPT 3949/4885GAA 2105/4885
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD POLB 249/4885MAPT 1005/4885GAA 1077/4885

“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.