Sugi Predict

Sugi Predict / Compounds / SCHEMBL18090459

SCHEMBL18090459

SCHEMBL18090459

Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ PTPN1 P18031 5/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PIM3 Q86V86 1/20 0.30

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
SCHEMBL18164893 0.94 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18090559 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18090355 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20109601 0.92 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18164839 0.92 GPR3 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18164847 0.90 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16850538 0.90 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18090427 0.89 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16850542 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16850541 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 — — US disclosed
US-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-15 — — US disclosed
WO-2016167491-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS 덕산네오룩스 주식회사 2016-10-20 — — WO disclosed
WO-2016148425-A2 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS FOR SAME 덕산네오룩스 주식회사 2016-09-22 — — 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 (2 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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 493/4885MAPT 2943/4885HPGD 3454/4885
US-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 493/4885MAPT 2943/4885HPGD 3454/4885

“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.