SCHEMBL10241750

SCHEMBL10241750

CCN1CCCC(OP(=O)(O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 3/20 0.42
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
INPP5A Q14642 1/20 0.36
BCHE P06276 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL18379149 1.00 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6KDM4ECHRM2
SCHEMBL10241157 0.90 SMN1; SMN2 (0.38) CYP3A4CYP1A2CYP2D6KDM4ECHRM2
SCHEMBL17553814 0.82 INPP5A (0.38) CYP3A4CYP1A2CYP2D6INPP5A
SCHEMBL3429840 0.80 CHRNB2 (0.35) INPP5ABCHE
SCHEMBL3429844 0.80 CHRNB2 (0.37) CYP1A2KDM4EINPP5ABCHEALDH1A1
SCHEMBL10241703 0.79 SMN1; SMN2 (0.44) KDM4ECHRM3INPP5ABCHE
SCHEMBL18379267 0.77 SMN1; SMN2 (0.49) CYP2D6CHRM2CHRM1CHRM3INPP5A
SCHEMBL14565210 0.77 SMN1; SMN2 (0.49) CYP2D6CHRM2CHRM1CHRM3INPP5A
SCHEMBL25153263 0.75 CYP3A4 (0.57) CYP3A4CYP1A2CYP2D6KDM4ECHRM2
SCHEMBL6923031 0.74 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6KDM4ECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (5 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CYP3A4 1291/4885CYP1A2 1595/4885CYP2D6 1699/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CYP3A4 1682/4885CYP1A2 507/4885CYP2D6 1361/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP3A4 1682/4885CYP1A2 507/4885CYP2D6 1361/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS CYP3A4 1682/4885CYP1A2 507/4885CYP2D6 1361/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP3A4 1682/4885CYP1A2 507/4885CYP2D6 1361/4885

“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.