SCHEMBL3359944

SCHEMBL3359944

Oc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
MAPT P10636 1/20 0.77
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN1 Q05586 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2B Q13224 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PTGS1 P23219 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
BLM P54132 2/20 0.45
ALPL P05186 1/20 0.45
POLB P06746 1/20 0.45
ALPI P09923 1/20 0.45

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
SCHEMBL3359946 1.00 ALDH1A1 (0.77) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL11742077 0.88 GRIN2D (0.64) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL12557406 0.88 ALDH1A1 (1.00) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL9621788 0.88 ALDH1A1 (1.00) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL12010979 0.88 GRIN2D (0.64) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL1033699 0.81 CA2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1033697 0.81 CA2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10045762 0.81 CA2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28756470 0.81 CA2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20266347 0.79 MAPT (0.81) ALDH1A1MAPTGRIN2DGRIN3BGRIN1

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-8425990-B2 Liquid crystalline compound, liquid crystalline composition, optical film, and optical laminate ZEON CORPORATION (JP) 2013-04-23 US disclosed
US-20100119737-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTALLINE COMPOSITION, OPTICAL FILM, AND OPTICAL LAMINATE ZEON CORPORATION (JP) 2010-05-13 US disclosed
EP-2119698-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTALLINE COMPOSITION, OPTICAL FILM, AND OPTICAL LAMINATE ZEON CORPORATION (JP) 2009-11-18 EP 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-20100119737-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTALLINE COMPOSITION, OPTICAL FILM, AND OPTICAL LAMINATE PYM1, TCF4, CRYAA ALDH1A1 3519/4885MAPT 123/4885GRIN2D 3304/4885

“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.