SCHEMBL4026246

SCHEMBL4026246

CNc1cc(-c2cccc(F)c2)nc2ccc(-c3ccccc3OC)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.50
CYP1A2 P05177 7/20 0.50
CYP3A4 P08684 7/20 0.50
CYP2D6 P10635 7/20 0.50
CYP2C19 P33261 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
DHODH Q02127 1/20 0.46
ACACA Q13085 1/20 0.46
KIT P10721 1/20 0.45
TSHR P16473 6/20 0.45
CLK4 Q9HAZ1 4/20 0.45
USP2 O75604 3/20 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
SCHEMBL4024602 0.89 PDE10A (0.50) CYP2C9
SCHEMBL4028870 0.85 CYP1A2 (0.47) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4031373 0.85 ABCG2 (0.52) DHODHACP1ABCG2MAP4K4NT5E
SCHEMBL4026944 0.84 CLK4 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL4025363 0.84 ABCG2 (0.48) CYP3A4DHODHACP1ABCG2MAP4K4
SCHEMBL4025241 0.83 ACP1 (0.44) LMNAALDH1A1HPGDKDM4EDHODH
SCHEMBL4023370 0.78 NT5E (0.49) ALDH1A1HSD17B10MAPK1HPGDCCNE2
SCHEMBL4816411 0.78 ABCG2 (0.52) DHODHACP1ABCG2MAP4K4NT5E
SCHEMBL4021555 0.77 NT5E (0.48) DHODHCLK4ACP1ABCG2MAP4K4
SCHEMBL24017210 0.77 FYN (0.56) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339690-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-7459430-B2 Methods of using ziconotide to treat overactive bladder DYNOGEN PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459430-B2 Methods of using ziconotide to treat overactive bladder DYNOGEN PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
WO-2005000285-A2 METHODS OF TREATING NON-INFLAMMATORY GASTROINTESTINAL TRACT DISORDERS USING Cav2.2 SUBUNIT CALCIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2005-01-06 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 (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-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators CACNB2, RYR2, FABP2 LMNA 3209/4885CYP1A2 1683/4885CYP3A4 2697/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I LMNA 3554/4885CYP1A2 1206/4885CYP3A4 2464/4885

“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.