SCHEMBL5493798

SCHEMBL5493798

COc1cc2c(cc1OC)C(C)(C)C(=O)NN=C2c1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.39
PDE4B Q07343 3/20 0.39
PDE3A Q14432 3/20 0.39
S1PR1 P21453 1/20 0.39
ERN1 O75460 1/20 0.38
FYN P06241 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 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
SCHEMBL7413954 0.80 CYP1A2 (0.56) TNFRSF1AS1PR1ERN1FYNTUBB4A
SCHEMBL7413554 0.70 GABRA5 (0.43) TNFRSF1APDE3AGABRA5KDM4EMEN1
SCHEMBL5494671 0.69 GABRA5 (0.43) TNFRSF1AS1PR1ERN1FYNGABRA5
SCHEMBL5488765 0.69 GABRA5 (0.43) TNFRSF1APDE3AS1PR1FYNGABRA5
SCHEMBL5486198 0.67 JAK2 (0.36) TNFRSF1AERN1FYNGABRA5GLA
SCHEMBL5493370 0.66 PDE2A (0.48) S1PR1GABRA5
SCHEMBL17167476 0.65 APP (0.59) TNFRSF1AS1PR1ERN1FYNTUBB4A
SCHEMBL5489956 0.64 JAK2 (0.35) TNFRSF1APDE3AFYNGABRA5MAPT
SCHEMBL10436312 0.63 TNFRSF1A (0.61) TNFRSF1AS1PR1ERN1FYNKDM4E
SCHEMBL19221525 0.62 FYN (0.47) TNFRSF1AS1PR1ERN1FYNTUBB4A

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A TNFRSF1A 4346/4885PDE4B 6/4885PDE3A 3/4885

“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.