SCHEMBL18905641

SCHEMBL18905641

CNc1cccc(Cc2cccc(NC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
APP P05067 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.40
CALM1 P0DP23 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTR6 P50406 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MTNR1A P48039 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
SCHEMBL12707605 0.93 TSHR (0.54) TSHRAPPCALM1HTR6MAPT
SCHEMBL8732128 0.91 TSHR (0.46) TSHRAPPRAPGEF4CALM1SAE1
SCHEMBL24146817 0.89 MAPT (0.48) RAPGEF4SAE1UBA2MAPTCYP3A4
SCHEMBL22602000 0.88 SAE1 (0.46) TSHRAPPRAPGEF4SAE1UBA2
SCHEMBL12852535 0.86 CYP17A1 (0.49) TSHRMAPTCYP3A4HTTROCK2
SCHEMBL3617649 0.86 RAPGEF4 (0.55) TSHRRAPGEF4MAPTGRIN2DGRIN3B
SCHEMBL7047409 0.84 TSHR (0.42) TSHRAPPRAPGEF4SAE1UBA2
SCHEMBL10061632 0.84 KDM4E (0.52) TSHRAPPMAPTCYP3A4KDM4E
SCHEMBL21233397 0.84 IDO1 (0.48) TSHRAPPRAPGEF4HTR6MAPT
SCHEMBL2291506 0.84 HTR6 (0.50) TSHRAPPHTR6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295198-A1 VANILLIN-DERIVED FLAME RETARDANT MONOMERS, RESINS, PREPOLYMERS, AND POLYMERS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-09-21 US disclosed
US-20170153526-A1 REFLECTIVE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-01 US disclosed
US-20170153526-A1 REFLECTIVE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-01 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-20230295198-A1 VANILLIN-DERIVED FLAME RETARDANT MONOMERS, RESINS, PREPOLYMERS, AND POLYMERS PNN, PFAS, POLN TSHR 4141/4885APP 1294/4885RAPGEF4 3446/4885

“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.