Sugi Predict

Sugi Predict / Compounds / SCHEMBL10051791

SCHEMBL10051791

SCHEMBL10051791

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sccc5c4)cc3)cc2)c2ccc3sccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ DYRK1A Q13627 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ CYP2A6 P11509 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PER2 O15055 1/20 0.36

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
SCHEMBL17740653 0.98 CA2 (0.45) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL17010989 0.97 CA2 (0.46) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL20386530 0.95 SLC6A2 (0.47) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL24368651 0.88 CA2 (0.48) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL10051792 0.87 ALDH1A1 (0.37) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL929430 0.86 CYP2A6 (0.48) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL26546158 0.85 ALDH1A1 (0.36) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL26542795 0.85 ALDH1A1 (0.36) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL15391613 0.84 SLC6A2 (0.43) CA2CA12SLC6A2SLC6A4SLC6A3
SCHEMBL24368898 0.84 CA2 (0.50) CA2CA12SLC6A2SLC6A4SLC6A3

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
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 — — US disclosed
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 — — US disclosed
US-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. 2012-11-08 — — US disclosed
US-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. 2012-11-08 — — US disclosed
WO-2012058209-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. (US) 2012-05-03 — — 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-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS OCIAD2, ETV6, RUVBL1 CA2 3899/4885CA12 3626/4885SLC6A2 2985/4885

“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.