SCHEMBL12490352

SCHEMBL12490352

S=C(Oc1ccccc1)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
FAAH O00519 3/20 0.41
MGLL Q99685 3/20 0.41
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 5/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
QPCT Q16769 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
QPCTL Q9NXS2 1/20 0.37

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
SCHEMBL12016609 0.81 MGLL (0.46) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL27470006 0.79 FAAH (0.45) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL17181088 0.75 CA12 (0.46) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL6101374 0.72 QPCT (0.42) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL12964049 0.71 FAAH (0.45) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL27575582 0.70 FAAH (0.41) TBXAS1FAAHMGLLCYP19A1
SCHEMBL11848834 0.70 FAAH (0.47) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL19468267 0.70 CYP3A4 (0.39) TBXAS1FAAHMGLLCYP3A4CYP19A1
SCHEMBL7402246 0.70 MEN1 (0.53) TBXAS1FAAHMGLLCYP3A4CYP2D6
SCHEMBL27857452 0.69 CYP3A4 (0.45) TBXAS1FAAHMGLLCYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND LUDWIG BOLTZMANN CLUSTER FUER KARDIOVASKULAERE FORSCHUNG (AT) 2013-01-03 US disclosed
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND LUDWIG BOLTZMANN CLUSTER FUER KARDIOVASKULAERE FORSCHUNG (AT) 2013-01-03 US disclosed
EP-2343063-A1 Pharmaceutical preparations comprising a COS releasing compound Universität Wien (AT) 2011-07-13 EP disclosed
WO-2011080269-A2 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND Universität Wien (AT) 2011-07-07 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 (1 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-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND VIP, CRH, ADCYAP1R1 TBXAS1 1221/4885FAAH 821/4885MGLL 520/4885

“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.