SCHEMBL13445167

SCHEMBL13445167

COC(C)CN1C(=CC=C(C#N)C#N)Sc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ MEN1 O00255 7/20 0.45
▸ USP2 O75604 4/20 0.45
▸ CRHBP P24387 4/20 0.45
▸ CRHR2 Q13324 4/20 0.45
▸ IDE P14735 1/20 0.45
▸ PTGS1 P23219 3/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ FNTA P49354 3/20 0.41
▸ FNTB P49356 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2D6 P10635 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ HTR1A P08908 3/20 0.38

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
SCHEMBL11851144 0.82 MEN1 (0.64) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL11315442 0.75 MEN1 (0.45) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL13889560 0.75 MAPT (0.52) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL11854175 0.74 MEN1 (0.57) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL11854170 0.74 MEN1 (0.57) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL12424112 0.74 MAPT (0.46) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL14317746 0.70 PTGS1 (0.34) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL10036074 0.70 MAPT (0.61) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL24390185 0.67 MAPT (0.70) MAPTKMT2AMEN1USP2CRHBP
SCHEMBL24390194 0.65 MAPT (0.56) MAPTKMT2AMEN1USP2CRHBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2010-04-01 — — 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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND SIGMAR1, SFN, CRY2 MAPT 4332/4885KMT2A 2492/4885MEN1 1622/4885

“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.

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