Sugi Predict

Sugi Predict / Compounds / SCHEMBL13138487

SCHEMBL13138487

SCHEMBL13138487

C/C(=N\c1cccc2cc3ccccc3cc12)N(C)/C(=N\c1cccc2cc3ccccc3cc12)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.50
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL13138486 0.82 SIGMAR1 (0.56) SIGMAR1CYP2D6TP53TSHRTHPO
SCHEMBL2740878 0.73 SIGMAR1 (0.57) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL16710205 0.72 SIGMAR1 (0.55) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL7053627 0.70 SIGMAR1 (0.48) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL7053624 0.70 SIGMAR1 (0.48) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL13967914 0.70 SIGMAR1 (0.42) SIGMAR1CYP2D6TP53TSHRTHPO
SCHEMBL13967911 0.70 SIGMAR1 (0.40) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4982326 0.69 SIGMAR1 (0.90) SIGMAR1CYP2D6TP53TSHRTHPO
SCHEMBL13967913 0.69 SIGMAR1 (0.42) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL676864 0.67 KDM4E (0.41) SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9

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-7790912-B2 Devices containing chiroptical switching materials and methods of making and using the same NORTH CAROLINA STATE UNIVERSITY (US) 2010-09-07 — — US disclosed
US-20090148673-A1 DEVICES CONTAINING CHIROPTICAL SWITCHING MATERIALS AND METHODS OF MAKING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-11 — — US disclosed
US-7485740-B2 Devices containing chiroptical switching materials and methods of making and using the same NORTH CAROLINA STATE UNIVERSITY (US) 2009-02-03 — — US disclosed
US-20070170422-A1 Devices containing chiroptical switching materials and methods of making and using the same NORTH CAROLINA STATE UNIVERSITY 2007-07-26 — — 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 (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-20070170422-A1 Devices containing chiroptical switching materials and methods of making and using the same PLEC, NCS1, PIEZO1 SIGMAR1 4565/4885CYP2D6 4825/4885CYP1A2 4878/4885
US-20090148673-A1 DEVICES CONTAINING CHIROPTICAL SWITCHING MATERIALS AND METHODS OF MAKING AND USING THE SAME PLEC, NCS1, PIEZO1 SIGMAR1 4565/4885CYP2D6 4825/4885CYP1A2 4878/4885

“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.