Sugi Predict

Sugi Predict / Compounds / SCHEMBL14213786

SCHEMBL14213786

SCHEMBL14213786

c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccn(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.41
▸ HTR6 P50406 5/20 0.38
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL14213823 0.94 HTR6 (0.43) BIRC5HTR6MGLLKDM4EALDH1A1
SCHEMBL16356462 0.88 BIRC5 (0.54) BIRC5HTR6MGLLKDM4EALDH1A1
SCHEMBL15791532 0.88 BIRC5 (0.54) BIRC5HTR6MGLLKDM4EALDH1A1
SCHEMBL20781790 0.88 BIRC5 (0.54) BIRC5HTR6MGLLKDM4EALDH1A1
SCHEMBL12979903 0.88 BIRC5 (0.43) BIRC5HTR6KDM4EALDH1A1CYP1A2
SCHEMBL15791451 0.87 BIRC5 (0.48) BIRC5HTR6MGLLHDAC3HDAC4
SCHEMBL15138111 0.87 BIRC5 (0.48) BIRC5HTR6MGLLALDH1A1HDAC3
SCHEMBL16356465 0.87 BIRC5 (0.48) BIRC5HTR6MGLLALDH1A1HDAC3
SCHEMBL15791526 0.87 BIRC5 (0.50) BIRC5HTR6MGLLKDM4EALDH1A1
SCHEMBL16356497 0.87 PLA2G4A (0.42) BIRC5HTR6MGLLKDM4EALDH1A1

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-8507904-B2 Compound including indole derivative, organic electronic element using same, and terminal thereof DUKSAN HIGH METAL CO., LTD. (KR) 2013-08-13 — — US disclosed
US-8507904-B2 Compound including indole derivative, organic electronic element using same, and terminal thereof DUKSAN HIGH METAL CO., LTD. (KR) 2013-08-13 — — US disclosed
US-20120305906-A1 COMPOUND INCLUDING INDOLE DERIVATIVE, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2012-12-06 — — US disclosed
US-20120305906-A1 COMPOUND INCLUDING INDOLE DERIVATIVE, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2012-12-06 — — US 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-20120305906-A1 COMPOUND INCLUDING INDOLE DERIVATIVE, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF INMT, IDO2, IDO1 BIRC5 1586/4885HTR6 249/4885MGLL 3260/4885

“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.