SCHEMBL4464203

SCHEMBL4464203

NC1=Nc2ccccc2N=C(N)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.54
NOS3 P29474 4/20 0.54
NOS2 P35228 4/20 0.54
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 1/20 0.33
CTSD P07339 1/20 0.33
PKM P14618 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
SCHEMBL84394 0.82 NOS3 (0.65) NOS1NOS3NOS2KDM4EGAA
SCHEMBL13324877 0.71 HTR5A (0.39) NOS1NOS3NOS2ALDH1A1CYP3A4
SCHEMBL2075410 0.70 NOS3 (1.00) NOS1NOS3NOS2KDM4ESIGMAR1
SCHEMBL20425672 0.70 TLR8 (0.40) NOS1NOS3NOS2TRPA1
SCHEMBL7506890 0.70 NOS3 (0.38) NOS1NOS3NOS2TRPA1
SCHEMBL5482045 0.69 LMNA (0.58) NOS1NOS3NOS2KDM4EGAA
Hydrochloric Acid SCHEMBL8324907 0.69 NOS3 (0.96) NOS1NOS3NOS2SIGMAR1ALDH1A1
SCHEMBL22983115 0.67 NOS3 (0.77) NOS1NOS3NOS2SIGMAR1ALDH1A1
SCHEMBL4111485 0.67 NOS2 (0.44) NOS1NOS3NOS2KDM4EGAA
SCHEMBL3030074 0.67 OPRK1 (0.46) NOS1NOS3NOS2GAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed
US-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed
US-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed
EP-1594879-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2008-10-22 EP disclosed
EP-1594879-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2008-10-22 EP disclosed
US-20060040921-A1 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL D.D. (SI) 2006-02-23 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-20060040921-A1 Process and intermediates for the preparation of olanzapine CYP4F11, CYP4A11, CYP3A4 NOS1 1899/4885NOS3 2748/4885NOS2 2786/4885

“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.