SCHEMBL2390513

SCHEMBL2390513

CCC(C)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
ACHE P22303 3/20 0.49
POLB P06746 1/20 0.49
CNR1 P21554 1/20 0.48
PDK1 Q15118 1/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
BCHE P06276 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45

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
SCHEMBL2390509 1.00 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6839373 0.83 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29772213 0.83 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2392298 0.82 POLB (0.47) ALDH1A1POLBHPGDHDAC1HDAC8
SCHEMBL2392302 0.82 POLB (0.47) ALDH1A1POLBHPGDHDAC1HDAC8
SCHEMBL2395334 0.78 MDM2 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ACHE
SCHEMBL21611281 0.78 PDE4B (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2395331 0.78 MDM2 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ACHE
SCHEMBL2390131 0.78 LMNA (0.53) CYP3A4CYP2C19ALDH1A1GAAPOLB
SCHEMBL2390139 0.78 LMNA (0.53) CYP3A4CYP2C19ALDH1A1GAAPOLB

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-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 CYP1A2 916/4885CYP3A4 229/4885CYP2C9 1622/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CYP1A2 916/4885CYP3A4 229/4885CYP2C9 1622/4885

“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.