Sugi Predict

Sugi Predict / Compounds / SCHEMBL14213823

SCHEMBL14213823

SCHEMBL14213823

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccn(-c6ccc(-c7ccccc7)cc6)c5c4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.43
▸ BIRC5 O15392 1/20 0.41
▸ LDHA P00338 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ACLY P53396 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
▸ BACE1 P56817 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL14213786 0.94 BIRC5 (0.41) HTR6BIRC5MGLLHSD11B1KDM4E
SCHEMBL15137977 0.88 HTR6 (0.43) HTR6BIRC5LDHAMGLLHSD11B1
SCHEMBL15138285 0.88 HTR6 (0.43) HTR6BIRC5LDHAMGLLHSD11B1
SCHEMBL18552249 0.88 HTR6 (0.43) HTR6BIRC5LDHAMGLLHSD11B1
SCHEMBL15791532 0.88 BIRC5 (0.54) HTR6BIRC5MGLLKDM4EALDH1A1
SCHEMBL20781790 0.88 BIRC5 (0.54) HTR6BIRC5MGLLKDM4EALDH1A1
SCHEMBL16356462 0.88 BIRC5 (0.54) HTR6BIRC5MGLLKDM4EALDH1A1
SCHEMBL15791549 0.87 BIRC5 (0.48) HTR6BIRC5HTR1DMGLLKDM4E
SCHEMBL15791451 0.87 BIRC5 (0.48) HTR6BIRC5MGLLNR3C1HDAC3
SCHEMBL15791561 0.87 BIRC5 (0.48) HTR6BIRC5HTR1DMGLLKDM4E

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 HTR6 249/4885BIRC5 1586/4885LDHA 2086/4885

“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.