SCHEMBL3397808

SCHEMBL3397808

O=C(C=Cc1ccccn1)c1ccccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.66
PADI4 Q9UM07 4/20 0.59
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1B1 Q16678 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
GPR52 Q9Y2T5 1/20 0.50
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47

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
SCHEMBL6292775 0.80 HSP90AA1 (1.00) HSP90AA1KDM4EMAPTALDH1A1NPSR1
SCHEMBL27574463 0.79 MAPT (0.64) KDM4EMAPTALDH1A1CYP1B1GPR52
SCHEMBL10375480 0.78 HSP90AA1 (0.69) HSP90AA1PADI4KDM4EMAPTALDH1A1
SCHEMBL10375706 0.78 HSP90AA1 (0.69) HSP90AA1PADI4KDM4EMAPTALDH1A1
SCHEMBL10375478 0.78 HSP90AA1 (0.69) HSP90AA1PADI4KDM4EMAPTALDH1A1
SCHEMBL10375707 0.78 HSP90AA1 (0.69) HSP90AA1PADI4KDM4EMAPTALDH1A1
Wr-190433 SCHEMBL977482 0.77 TUBB4A (0.66) HSP90AA1PADI4KDM4EMAPTALDH1A1
Wr-190433 SCHEMBL30880222 0.77 TUBB4A (0.66) HSP90AA1PADI4KDM4EMAPTALDH1A1
Wr-190433 SCHEMBL29870441 0.77 TUBB4A (0.66) HSP90AA1PADI4KDM4EMAPTALDH1A1
Wr-190433 SCHEMBL6180067 0.77 TUBB4A (0.66) HSP90AA1PADI4KDM4EMAPTALDH1A1

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
EP-2246351-B1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2015-05-06 EP disclosed
US-8624228-B2 Compound having pyridoindole ring structure bonded with substituted pyridyl group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20100308322-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co,. Ltd. (JP) 2010-12-09 US disclosed
EP-2246351-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2010-11-03 EP 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-20100308322-A1 COMPOUND HAVING PYRIDOINDOLE RING STRUCTURE BONDED WITH SUBSTITUTED PYRIDYL GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE KCNH3, KCNH2, PRDM9 HSP90AA1 4841/4885PADI4 2406/4885KDM4E 1240/4885

“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.