SCHEMBL3666809

SCHEMBL3666809

O=C(/C=C/c1ccccn1)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
HSP90AA1 P07900 2/20 0.57
P4HB P07237 5/20 0.57
CHRNA7 P36544 2/20 0.56
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
CYP1B1 Q16678 2/20 0.53
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53

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
Wr-190433 SCHEMBL29870441 0.84 TUBB4A (0.66) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1
Wr-190433 SCHEMBL6180067 0.84 TUBB4A (0.66) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1
Wr-190433 SCHEMBL30880222 0.84 TUBB4A (0.66) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1
Wr-190433 SCHEMBL977482 0.84 TUBB4A (0.66) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1
SCHEMBL10376864 0.84 MAPT (0.63) HSP90AA1P4HBKDM4EMAPTCYP1B1
SCHEMBL10376866 0.84 MAPT (0.63) HSP90AA1P4HBKDM4EMAPTCYP1B1
SCHEMBL1604279 0.83 TUBB4A (0.65) HSP90AA1P4HBKDM4EMAPTCYP1B1
SCHEMBL28713225 0.83 TUBB4A (0.65) HSP90AA1P4HBKDM4EMAPTCYP1B1
SCHEMBL15882451 0.82 TUBB4A (0.72) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1
SCHEMBL15882450 0.82 TUBB4A (0.72) HSP90AA1KDM4EMAPTCYP1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK USP2 3412/4885HSP90AA1 4151/4885P4HB 3076/4885

“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.