SCHEMBL4535528

SCHEMBL4535528

Cc1ccc2[nH]c(=O)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39

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
SCHEMBL19233139 0.76 CA12 (0.41) CA12CA9PDE3BPDE3ACA1
SCHEMBL29547698 0.76 CA12 (0.41) CA12CA9PDE3BPDE3ACA1
SCHEMBL17442949 0.76 F11 (0.48) CA12CA9PDE3BPDE3ACA1
SCHEMBL8345240 0.76 SIRT2 (0.45) CA12CA9PDE3BPDE3ACA1
SCHEMBL18237950 0.76 CA12 (0.41) CA12CA9PDE3BPDE3ACA1
SCHEMBL13104643 0.76 KDM4E (0.44) CA12CA9PDE3BPDE3ACA1
SCHEMBL30564985 0.76 SIRT2 (0.45) CA12CA9PDE3BPDE3ACA1
SCHEMBL13094338 0.76 CA12 (0.44) CA12CA9PDE3BPDE3ACA1
Hydrochloric Acid SCHEMBL28454847 0.74 NCF1 (0.42) CA12CA9PDE3BPDE3ACA1
SCHEMBL4056355 0.73 PDE3B (0.43) CA12CA9PDE3BPDE3ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CA12 20/4885CA9 32/4885NOS1 3212/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 CA12 3462/4885CA9 4034/4885NOS1 2504/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR CA12 4861/4885CA9 4870/4885NOS1 613/4885

“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.