SCHEMBL13138486

SCHEMBL13138486

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.56
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 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
SCHEMBL13138487 0.82 SIGMAR1 (0.50) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL4982326 0.77 SIGMAR1 (0.90) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8399385 0.74 SIGMAR1 (0.61) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL4981507 0.68 SIGMAR1 (0.73) SIGMAR1
SCHEMBL8399382 0.67 KMT2A (0.48) SIGMAR1CYP2D6
SCHEMBL17968404 0.67 SIGMAR1 (0.61) SIGMAR1CYP2D6
SCHEMBL27844570 0.66 SIGMAR1 (0.56) SIGMAR1CYP2D6
SCHEMBL8742588 0.66 SIGMAR1 (0.59) SIGMAR1
SCHEMBL6541295 0.65 SIGMAR1 (0.46) SIGMAR1TP53TSHR
SCHEMBL8152318 0.65 MCL1 (0.58) SIGMAR1TP53TSHR

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 4565/4885TP53 4314/4885CYP2D6 4825/4885
US-20090148673-A1 DEVICES CONTAINING CHIROPTICAL SWITCHING MATERIALS AND METHODS OF MAKING AND USING THE SAME PLEC, NCS1, PIEZO1 SIGMAR1 4565/4885TP53 4314/4885CYP2D6 4825/4885

“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.